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

C19H30N2 — CID 81367096

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCc1cccc([C@H](C)NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C19H30N2/c1-14-7-5-8-16(13-14)15(2)21-19-11-6-9-17(19)18-10-3-4-12-20-18/h5,7-8,13,15,17-21H,3-4,6,9-12H2,1-2H3/t15-,17?,18?,19?/m0/s1
InChIKeyIDRXTNYIHKMTAW-XAJACXMCSA-N
MW286.46 g/mol
LogP3.96
Rot. Bonds4

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

N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (PubChem CID 81367096) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
PubChem CID81367096
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
SMILESCc1cccc([C@H](C)NC2CCCC2C2CCCCN2)c1
InChIInChI=1S/C19H30N2/c1-14-7-5-8-16(13-14)15(2)21-19-11-6-9-17(19)18-10-3-4-12-20-18/h5,7-8,13,15,17-21H,3-4,6,9-12H2,1-2H3/t15-,17?,18?,19?/m0/s1
InChIKeyIDRXTNYIHKMTAW-XAJACXMCSA-N
XLogP3.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 81369615
N-[1-(3-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538155
2-piperidin-2-yl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 79553353
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81374734
N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79537931
N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761
N-[1-(2-bromophenyl)ethyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79536151
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79535964
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140
N-[(1R)-1-cyclohexylethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81384136

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine (CID 81367096) is N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is Cc1cccc([C@H](C)NC2CCCC2C2CCCCN2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
The InChIKey is IDRXTNYIHKMTAW-XAJACXMCSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-7-5-8-16(13-14)15(2)21-19-11-6-9-17(19)18-10-3-4-12-20-18/h5,7-8,13,15,17-21H,3-4,6,9-12H2,1-2H3/t15-,17?,18?,19?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine?
N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 81367096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).