(2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol

C18H26ClNO — CID 155992534

IUPAC(2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol
SMILESO[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO/c19-15-10-8-14(9-11-15)13-17-18(21)7-4-12-20(17)16-5-2-1-3-6-16/h8-11,16-18,21H,1-7,12-13H2/t17-,18-/m0/s1
InChIKeyYWOBDJMCQSCKRU-ROUUACIJSA-N
MW307.86 g/mol
LogP4.04
Rot. Bonds3

About (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol

(2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol (PubChem CID 155992534) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol
PubChem CID155992534
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name(2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol
SMILESO[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H26ClNO/c19-15-10-8-14(9-11-15)13-17-18(21)7-4-12-20(17)16-5-2-1-3-6-16/h8-11,16-18,21H,1-7,12-13H2/t17-,18-/m0/s1
InChIKeyYWOBDJMCQSCKRU-ROUUACIJSA-N
XLogP4.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Eliprodil
CID 60703
Vesamicol hydrochloride
CID 212231
ML398
CID 72737723
4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol
CID 3419898
(+/-)-Vesamicol hydrochloride
CID 6603219
(+)-(S)-Eliprodil
CID 14622158
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
Eliprodil, (R)-
CID 9798372
1-[(1S,2S)-1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-phenylpiperidin-4-ol
CID 10020476
2-[4-(4-Chloro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925764
2-(4-Benzyl-piperidin-1-yl)-cyclohexanol
CID 15925766
2-[4-(3-Phenyl-propyl)-piperidin-1-yl]-cyclohexanol
CID 15925767

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol?
The IUPAC name of (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol (CID 155992534) is (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol.
What is the SMILES notation for (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol?
The canonical SMILES for (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol is O[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccc(Cl)cc1.
What is the InChIKey of (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol?
The InChIKey is YWOBDJMCQSCKRU-ROUUACIJSA-N. The full InChI is InChI=1S/C18H26ClNO/c19-15-10-8-14(9-11-15)13-17-18(21)7-4-12-20(17)16-5-2-1-3-6-16/h8-11,16-18,21H,1-7,12-13H2/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol?
(2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol has a molecular weight of 307.86 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol is sourced from PubChem (CID 155992534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).