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

C18H27ClN2 — CID 81374734

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESC[C@@H](NC1CCCC1C1CCCCN1)c1ccccc1Cl
InChIInChI=1S/C18H27ClN2/c1-13(14-7-2-3-9-16(14)19)21-18-11-6-8-15(18)17-10-4-5-12-20-17/h2-3,7,9,13,15,17-18,20-21H,4-6,8,10-12H2,1H3/t13-,15?,17?,18?/m1/s1
InChIKeyHBOZCECBUMVAMB-USZJQJMOSA-N
MW306.88 g/mol
LogP4.30
Rot. Bonds4

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

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (PubChem CID 81374734) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
PubChem CID81374734
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESC[C@@H](NC1CCCC1C1CCCCN1)c1ccccc1Cl
InChIInChI=1S/C18H27ClN2/c1-13(14-7-2-3-9-16(14)19)21-18-11-6-8-15(18)17-10-4-5-12-20-17/h2-3,7,9,13,15,17-18,20-21H,4-6,8,10-12H2,1H3/t13-,15?,17?,18?/m1/s1
InChIKeyHBOZCECBUMVAMB-USZJQJMOSA-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-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536151
N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538155
N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81367096
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
N-[(2-chlorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545200
2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79535964
2-piperidin-2-yl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 79553353
N-[(1S)-1-(3-methylphenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 81369615
N-[(1R)-1-cyclohexylethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81384136
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (CID 81374734) is N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is C[C@@H](NC1CCCC1C1CCCCN1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The InChIKey is HBOZCECBUMVAMB-USZJQJMOSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-13(14-7-2-3-9-16(14)19)21-18-11-6-8-15(18)17-10-4-5-12-20-17/h2-3,7,9,13,15,17-18,20-21H,4-6,8,10-12H2,1H3/t13-,15?,17?,18?/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
N-[(1R)-1-(2-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-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 81374734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).