1-(2-chloroethyl)-4-cyclopentylpiperazine

C11H21ClN2 — CID 4741622

IUPAC1-(2-chloroethyl)-4-cyclopentylpiperazine
SMILESClCCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H21ClN2/c12-5-6-13-7-9-14(10-8-13)11-3-1-2-4-11/h11H,1-10H2
InChIKeyJSZAMXOYOVLZFV-UHFFFAOYSA-N
MW216.76 g/mol
LogP1.79
Rot. Bonds3

About 1-(2-chloroethyl)-4-cyclopentylpiperazine

1-(2-chloroethyl)-4-cyclopentylpiperazine (PubChem CID 4741622) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-cyclopentylpiperazine
PubChem CID4741622
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC Name1-(2-chloroethyl)-4-cyclopentylpiperazine
SMILESClCCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C11H21ClN2/c12-5-6-13-7-9-14(10-8-13)11-3-1-2-4-11/h11H,1-10H2
InChIKeyJSZAMXOYOVLZFV-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
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1-cyclohexyl-4-(3-isocyanopropyl)piperazine
CID 3613896
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
1-cyclohexyl-4-ethylpiperazine;hydrochloride
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1-(2-chloroethyl)-4-(2-cyclohexylethyl)-1,4-diazepane
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1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935954
1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
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4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
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1-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-3-amine
CID 55098190

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-cyclopentylpiperazine?
The IUPAC name of 1-(2-chloroethyl)-4-cyclopentylpiperazine (CID 4741622) is 1-(2-chloroethyl)-4-cyclopentylpiperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-cyclopentylpiperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-cyclopentylpiperazine is ClCCN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-cyclopentylpiperazine?
The InChIKey is JSZAMXOYOVLZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2/c12-5-6-13-7-9-14(10-8-13)11-3-1-2-4-11/h11H,1-10H2.
What are the key properties of 1-(2-chloroethyl)-4-cyclopentylpiperazine?
1-(2-chloroethyl)-4-cyclopentylpiperazine has a molecular weight of 216.76 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-cyclopentylpiperazine is sourced from PubChem (CID 4741622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).