N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine

C18H27ClN2 — CID 79538155

IUPACN-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCC(NC1CCCC1C1CCCCN1)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-13(14-6-4-7-15(19)12-14)21-18-10-5-8-16(18)17-9-2-3-11-20-17/h4,6-7,12-13,16-18,20-21H,2-3,5,8-11H2,1H3
InChIKeyJUENMPZVFOQMAU-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.30
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine

N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (PubChem CID 79538155) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
PubChem CID79538155
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCC(NC1CCCC1C1CCCCN1)c1cccc(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-13(14-6-4-7-15(19)12-14)21-18-10-5-8-16(18)17-9-2-3-11-20-17/h4,6-7,12-13,16-18,20-21H,2-3,5,8-11H2,1H3
InChIKeyJUENMPZVFOQMAU-UHFFFAOYSA-N
XLogP4.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81367096
N-[(1S)-1-(3-methylphenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 81369615
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81374734
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
2-piperidin-2-yl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 79553353
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (CID 79538155) is N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is CC(NC1CCCC1C1CCCCN1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The InChIKey is JUENMPZVFOQMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-13(14-6-4-7-15(19)12-14)21-18-10-5-8-16(18)17-9-2-3-11-20-17/h4,6-7,12-13,16-18,20-21H,2-3,5,8-11H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine has a molecular weight of 306.88 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79538155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).