1-Cyclopropylpiperazine dihydrochloride

C₇H₁₆Cl₂N₂CAS 139256-79-4199.12 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₆Cl₂N₂
Molar mass: 199.12 g/mol
Exact mass: 198.0691 Da
logP: 0.90Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage83.3% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

139256-79-4

SMILES

C1CC1N2CCNCC2.Cl.Cl

InChIKey

JDJNSFSTSJWJFA-UHFFFAOYSA-N

InChI

InChI=1S/C7H14N2.2ClH/c1-2-7(1)9-5-3-8-4-6-9;;/h7-8H,1-6H2;2*1H

Weigh it out

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

Work with 1-Cyclopropylpiperazine dihydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Cyclopropylpiperazine20327-23-5Free base

Similar compounds

1-Cyclopentylpiperazine21043-40-367 % similar 1,4′-Bipiperidine, hydrochloride (1:2)4876-60-267 % similar 1-Cyclohexylpiperazine17766-28-864 % similar 1-Cycloheptylpiperazine21043-42-564 % similar 1-Cyclooctylpiperazine21043-43-664 % similar 1-Methyl-4-(piperazin-1-yl)piperazine hydrochloride436099-90-059 % similar 4-(1-Pyrrolidinyl)piperidine5004-07-957 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-4,7-diazaspiro[2.5]octane dihydrochloride1152111-72-2 (S)-3-Aminoquinuclidine dihydrochloride119904-90-4 (R)-(+)-3-Aminoquinuclidine dihydrochloride123536-14-1 1-Azabicyclo[2.2.2]oct-3-ylamine dihydrochloride6530-09-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook