1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine

C24H31N — CID 155742728

IUPAC1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine
SMILESCc1ccc(-c2ccc(C3CCCN(CC4CCCC4)C3)cc2)cc1
InChIInChI=1S/C24H31N/c1-19-8-10-21(11-9-19)22-12-14-23(15-13-22)24-7-4-16-25(18-24)17-20-5-2-3-6-20/h8-15,20,24H,2-7,16-18H2,1H3
InChIKeyIBVYXBTWNDTGGO-UHFFFAOYSA-N
MW333.52 g/mol
LogP6.03
Rot. Bonds4

About 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine

1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine (PubChem CID 155742728) has the molecular formula C24H31N and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine
PubChem CID155742728
Molecular FormulaC24H31N
Molecular Weight333.52 g/mol
Exact Mass333.25
IUPAC Name1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine
SMILESCc1ccc(-c2ccc(C3CCCN(CC4CCCC4)C3)cc2)cc1
InChIInChI=1S/C24H31N/c1-19-8-10-21(11-9-19)22-12-14-23(15-13-22)24-7-4-16-25(18-24)17-20-5-2-3-6-20/h8-15,20,24H,2-7,16-18H2,1H3
InChIKeyIBVYXBTWNDTGGO-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
3-[4-(4-chlorophenyl)phenyl]-1-(cyclopentylmethyl)piperidine;1-(cyclopentylmethyl)-3-[4-(4-fluorophenyl)phenyl]piperidine;1-(cyclopentylmethyl)-3-(3-methyl-4-phenylphenyl)piperidine;1-(cyclopentylmethyl)-3-[4-(3-methylphenyl)phenyl]piperidine;1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine;1-(cyclopentylmethyl)-3-(4-phenylphenyl)piperidine;1-(cyclopropylmethyl)-3-[4-(4-fluorophenyl)phenyl]piperidine
CID 167593510
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
3-(4-methylphenyl)piperidin-1-amine
CID 83530745
1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl]methyl]-3-phenylpiperidine
CID 101147365
ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
CID 171070213
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
1-[(4-ethynylphenyl)methyl]-3-(4-methylphenyl)piperidine
CID 167080839
ethane;1-methyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine;1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171070146
2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane
CID 171069822
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
2-[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-4,6-dimethylpyrimidine
CID 95821591

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine?
The IUPAC name of 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine (CID 155742728) is 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine?
The canonical SMILES for 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine is Cc1ccc(-c2ccc(C3CCCN(CC4CCCC4)C3)cc2)cc1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine?
The InChIKey is IBVYXBTWNDTGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N/c1-19-8-10-21(11-9-19)22-12-14-23(15-13-22)24-7-4-16-25(18-24)17-20-5-2-3-6-20/h8-15,20,24H,2-7,16-18H2,1H3.
What are the key properties of 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine?
1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine has a molecular weight of 333.52 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine is sourced from PubChem (CID 155742728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).