trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride

C17H26ClNO — CID 6603219

IUPACtrans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride
SMILESCl.O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H/t16-,17-;/m1./s1
InChIKeyXJNUHVMJVWOYCW-GBNZRNLASA-N
MW295.85 g/mol
LogP3.59
Rot. Bonds2

About trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride

trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride (PubChem CID 6603219) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride
PubChem CID6603219
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Nametrans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride
SMILESCl.O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H/t16-,17-;/m1./s1
InChIKeyXJNUHVMJVWOYCW-GBNZRNLASA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Diphemethoxidine
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Piperidinium, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methyl-, bromide (1:1)
CID 10619
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
(+/-)-threo-N-(4-Phenylbutyl)ritalinol
CID 52941366
(+/-)-threo-N-(3-Phenylpropyl)ritalinol
CID 52945256
Piperazine derivative, 10
CID 71463395
(2R,3R,4aR,8aR)-3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 10335743
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
CID 44450421

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride (CID 6603219) is trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride is Cl.O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride?
The InChIKey is XJNUHVMJVWOYCW-GBNZRNLASA-N. The full InChI is InChI=1S/C17H25NO.ClH/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14;/h1-3,6-7,15-17,19H,4-5,8-13H2;1H/t16-,17-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride?
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride has a molecular weight of 295.85 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 6603219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).