[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride

C26H36ClNO — CID 155569830

IUPAC[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride
SMILESCl.OCC1(c2ccccc2)CCN(CC(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C26H35NO.ClH/c28-21-26(24-14-8-3-9-15-24)16-18-27(19-17-26)20-25(22-10-4-1-5-11-22)23-12-6-2-7-13-23;/h1,3-5,8-11,14-15,23,25,28H,2,6-7,12-13,16-21H2;1H
InChIKeyXRDRWBNWOSJMAK-UHFFFAOYSA-N
MW414.03 g/mol
LogP5.80
Rot. Bonds6

About [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride

[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride (PubChem CID 155569830) has the molecular formula C26H36ClNO and a molecular weight of 414.03 g/mol. Its IUPAC name is [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride
PubChem CID155569830
Molecular FormulaC26H36ClNO
Molecular Weight414.03 g/mol
Exact Mass413.25
IUPAC Name[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride
SMILESCl.OCC1(c2ccccc2)CCN(CC(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C26H35NO.ClH/c28-21-26(24-14-8-3-9-15-24)16-18-27(19-17-26)20-25(22-10-4-1-5-11-22)23-12-6-2-7-13-23;/h1,3-5,8-11,14-15,23,25,28H,2,6-7,12-13,16-21H2;1H
InChIKeyXRDRWBNWOSJMAK-UHFFFAOYSA-N
XLogP5.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.03
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-3-phenylpropan-1-ol
CID 57047034
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
4-[1-[[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
CID 71167298
CID 59730721
CID 59730721
N-[1-(2-cyclohexyl-2-phenylethyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 110223508
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
(2-chloro-1-cyclopentylethyl)benzene
CID 79019868
cycloheptyl-(1-phenylcyclobutyl)methanol
CID 82932083
(R)-cycloheptyl(phenyl)methanol
CID 94502427
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
1-[(2S)-2-(3-chlorophenyl)-2-cyclopentylethyl]-4-methylpiperazine
CID 129382633

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride?
The IUPAC name of [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride (CID 155569830) is [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride is Cl.OCC1(c2ccccc2)CCN(CC(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride?
The InChIKey is XRDRWBNWOSJMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO.ClH/c28-21-26(24-14-8-3-9-15-24)16-18-27(19-17-26)20-25(22-10-4-1-5-11-22)23-12-6-2-7-13-23;/h1,3-5,8-11,14-15,23,25,28H,2,6-7,12-13,16-21H2;1H.
What are the key properties of [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride?
[1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride has a molecular weight of 414.03 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexyl-2-phenylethyl)-4-phenylpiperidin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 155569830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).