Isopropylpiperazine

C₇H₁₆N₂CAS 4318-42-7128.22 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₆N₂
Molar mass: 128.22 g/mol
Exact mass: 128.1313 Da
Boiling point: 156–163 °C
logP: 0.30Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H311 Toxic in contact with skin89.4% of notifiers
H312 Harmful in contact with skin10.6% of notifiers
H315 Causes skin irritation91.5% of notifiers
H319 Causes serious eye irritation89.4% of notifiers
H335 May cause respiratory irritation89.4% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

4318-42-7

SMILES

CC(C)N1CCNCC1

InChIKey

WHKWMTXTYKVFLK-UHFFFAOYSA-N

InChI

InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Piperazine, 1-(1-methylethyl)-
Piperazine, 1-isopropyl-
1-(1-Methylethyl)piperazine
1-Isopropylpiperazine
N-Isopropylpiperazine
4-Isopropylpiperazine
1-(Propan-2-yl)piperazine
4-(Propan-2-yl)piperazine
1-(2-Propyl)-piperazine

Work with Isopropylpiperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Cyclopropylpiperazine20327-23-552 % similar 1-(Butan-2-yl)piperazine34581-21-052 % similar 1-(2-Diisopropylaminoethyl)piperazine59955-93-052 % similar 1-Cyclopentylpiperazine21043-40-348 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-246 % similar 1-(Oxetan-3-yl)piperazine1254115-23-546 % similar 1-Cyclopropylpiperazine dihydrochloride139256-79-446 % similar 1-Cyclohexylpiperazine17766-28-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methylpiperidin-3-yl)methanamine14613-37-7 1-Propylpiperazine21867-64-1 (2R)-1-Ethyl-2-pyrrolidinemethanamine22795-97-7 (2S)-1-Ethyl-2-pyrrolidinemethanamine22795-99-9 1-Pyrrolidinepropanamine23159-07-1 2-Aminomethyl-1-ethylpyrrolidine26116-12-1 1-Piperidineethanamine27578-60-5 1-Ethylhomopiperazine3619-73-6

Elsewhere

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