1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine

C18H27ClN2 — CID 129382633

IUPAC1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
SMILESCN1CCN(C[C@H](c2cccc(Cl)c2)C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2/c1-20-9-11-21(12-10-20)14-18(15-5-2-3-6-15)16-7-4-8-17(19)13-16/h4,7-8,13,15,18H,2-3,5-6,9-12,14H2,1H3/t18-/m0/s1
InChIKeyAYCPXPJKQPBIRX-SFHVURJKSA-N
MW306.88 g/mol
LogP3.86
Rot. Bonds4

About 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine

1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine (PubChem CID 129382633) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
PubChem CID129382633
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
SMILESCN1CCN(C[C@H](c2cccc(Cl)c2)C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2/c1-20-9-11-21(12-10-20)14-18(15-5-2-3-6-15)16-7-4-8-17(19)13-16/h4,7-8,13,15,18H,2-3,5-6,9-12,14H2,1H3/t18-/m0/s1
InChIKeyAYCPXPJKQPBIRX-SFHVURJKSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)-2-cyclohexylethyl]-N-methylpiperidin-2-amine
CID 68853104
5-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4,4a,6,7,8,9,9a-decahydrobenzo[7]annulen-5-ol
CID 143036814
2-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanoic acid
CID 117243308
3-(3-chlorophenyl)-3-cyclohexylpropan-1-amine
CID 82087861
1-[2-[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-cyclohexylethyl]-4-methylpiperazine
CID 151145781
1-[1-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-ethylcyclohexan-1-ol;dihydrochloride
CID 68853180
1-(3-chlorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62628874
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 54861037
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
1-[2-(3-chlorophenyl)propyl]-N-methylpiperidin-3-amine
CID 120837905
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine?
The IUPAC name of 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine (CID 129382633) is 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine is CN1CCN(C[C@H](c2cccc(Cl)c2)C2CCCC2)CC1.
What is the InChIKey of 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine?
The InChIKey is AYCPXPJKQPBIRX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-20-9-11-21(12-10-20)14-18(15-5-2-3-6-15)16-7-4-8-17(19)13-16/h4,7-8,13,15,18H,2-3,5-6,9-12,14H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine?
1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine has a molecular weight of 306.88 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine is sourced from PubChem (CID 129382633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).