[1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol

C19H29NO — CID 23723713

IUPAC[1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(C2CCC2)CC1
InChIInChI=1S/C19H29NO/c21-16-19(11-5-8-17-6-2-1-3-7-17)12-14-20(15-13-19)18-9-4-10-18/h1-3,6-7,18,21H,4-5,8-16H2
InChIKeyQSEKRBGVSGEOLT-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.64
Rot. Bonds6

About [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol

[1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol (PubChem CID 23723713) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol
PubChem CID23723713
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name[1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol
SMILESOCC1(CCCc2ccccc2)CCN(C2CCC2)CC1
InChIInChI=1S/C19H29NO/c21-16-19(11-5-8-17-6-2-1-3-7-17)12-14-20(15-13-19)18-9-4-10-18/h1-3,6-7,18,21H,4-5,8-16H2
InChIKeyQSEKRBGVSGEOLT-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Alphamethadol
CID 62709
3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-
CID 28397
(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
Betamethadol
CID 10064061
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
4-Phenylpiperidine-4-methanol
CID 77896
Alphamethadol hydrochloride, (-)-
CID 3041255
Levomethadyl
CID 3041256
Alphamethadol hydrochloride, (+)-
CID 206311
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270

Frequently Asked Questions

What is the IUPAC name of [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The IUPAC name of [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol (CID 23723713) is [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol is OCC1(CCCc2ccccc2)CCN(C2CCC2)CC1.
What is the InChIKey of [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol?
The InChIKey is QSEKRBGVSGEOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c21-16-19(11-5-8-17-6-2-1-3-7-17)12-14-20(15-13-19)18-9-4-10-18/h1-3,6-7,18,21H,4-5,8-16H2.
What are the key properties of [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol?
[1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol has a molecular weight of 287.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclobutyl-4-(3-phenylpropyl)piperidin-4-yl]methanol is sourced from PubChem (CID 23723713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).