1-Cycloheptylpiperazine

C₁₁H₂₂N₂CAS 21043-42-5182.31 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₂₂N₂
Molar mass: 182.31 g/mol
Exact mass: 182.1783 Da
logP: 1.61Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

21043-42-5

SMILES

C1CCCC(CC1)N2CCNCC2

InChIKey

CHSINHUYLALJPT-UHFFFAOYSA-N

InChI

InChI=1S/C11H22N2/c1-2-4-6-11(5-3-1)13-9-7-12-8-10-13/h11-12H,1-10H2

Weigh it out

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

Names and synonyms

1 names

1-Cycloheptyl-piperazine

Work with 1-Cycloheptylpiperazine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Cyclohexylpiperazine17766-28-8100 % similar 1-Cyclooctylpiperazine21043-43-6100 % similar 1-Cyclopentylpiperazine21043-40-394 % similar 1-Cyclopropylpiperazine20327-23-574 % similar 1,4′-Bipiperidine4897-50-168 % similar 1-Cyclopropylpiperazine dihydrochloride139256-79-464 % similar 4-(1-Pyrrolidinyl)piperidine5004-07-964 % similar 1,4′-Bipiperidine, hydrochloride (1:2)4876-60-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Octylamino)propanenitrile29504-89-0 4-(3-Methyl-piperidin-1-yl)-piperidine551923-14-9 1-(Cyclohexylmethyl)piperazine57184-23-3 3-(tert-Octylamino)propionitrile86375-28-2

Elsewhere

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