1-Cyclopentylpiperazine

C₉H₁₈N₂CAS 21043-40-3154.26 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₉H₁₈N₂
Molar mass: 154.26 g/mol
Exact mass: 154.1470 Da
logP: 0.83Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

21043-40-3

SMILES

C1CCC(C1)N2CCNCC2

InChIKey

PVMCQBPJKPMOKM-UHFFFAOYSA-N

InChI

InChI=1S/C9H18N2/c1-2-4-9(3-1)11-7-5-10-6-8-11/h9-10H,1-8H2

Weigh it out

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

Work with 1-Cyclopentylpiperazine

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-Cyclohexylpiperazine17766-28-894 % similar 1-Cycloheptylpiperazine21043-42-594 % similar 1-Cyclooctylpiperazine21043-43-694 % similar 1-Cyclopropylpiperazine20327-23-578 % similar 1-Cyclopropylpiperazine dihydrochloride139256-79-467 % similar 1,4′-Bipiperidine4897-50-164 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-258 % similar 1,4′-Bipiperidine, hydrochloride (1:2)4876-60-256 % similar

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

Same formula

4-(1-Pyrrolidinyl)piperidine5004-07-9 (S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine51207-66-0 N,N′-Methanetetraylbis[2-methyl-2-propanamine]691-24-7

Elsewhere

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