(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol

C22H34N2O — CID 71271163

IUPAC(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol
SMILESOC(c1ccc(CNC2CCCC2)cc1)C1CCN(C2CCC2)CC1
InChIInChI=1S/C22H34N2O/c25-22(19-12-14-24(15-13-19)21-6-3-7-21)18-10-8-17(9-11-18)16-23-20-4-1-2-5-20/h8-11,19-23,25H,1-7,12-16H2
InChIKeyRXNXUQQMPDSAFE-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.02
Rot. Bonds6

About (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol

(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol (PubChem CID 71271163) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol.

Molecular Properties

Compound Name(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol
PubChem CID71271163
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol
SMILESOC(c1ccc(CNC2CCCC2)cc1)C1CCN(C2CCC2)CC1
InChIInChI=1S/C22H34N2O/c25-22(19-12-14-24(15-13-19)21-6-3-7-21)18-10-8-17(9-11-18)16-23-20-4-1-2-5-20/h8-11,19-23,25H,1-7,12-16H2
InChIKeyRXNXUQQMPDSAFE-UHFFFAOYSA-N
XLogP4.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
cyclohexyl-(4-ethylphenyl)methanol
CID 60797623
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
CID 86338649
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol?
The IUPAC name of (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol (CID 71271163) is (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol.
What is the SMILES notation for (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol?
The canonical SMILES for (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol is OC(c1ccc(CNC2CCCC2)cc1)C1CCN(C2CCC2)CC1.
What is the InChIKey of (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol?
The InChIKey is RXNXUQQMPDSAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c25-22(19-12-14-24(15-13-19)21-6-3-7-21)18-10-8-17(9-11-18)16-23-20-4-1-2-5-20/h8-11,19-23,25H,1-7,12-16H2.
What are the key properties of (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol?
(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol has a molecular weight of 342.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol is sourced from PubChem (CID 71271163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).