(2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol

C18H27NO — CID 102259871

IUPAC(2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol
SMILESO[C@@H]1C[C@H](Cc2ccccc2)N[C@H](C2CCCCC2)C1
InChIInChI=1S/C18H27NO/c20-17-12-16(11-14-7-3-1-4-8-14)19-18(13-17)15-9-5-2-6-10-15/h1,3-4,7-8,15-20H,2,5-6,9-13H2/t16-,17+,18-/m0/s1
InChIKeyJAONUYSSDPLZQZ-KSZLIROESA-N
MW273.42 g/mol
LogP3.29
Rot. Bonds3

About (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol

(2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol (PubChem CID 102259871) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol
PubChem CID102259871
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol
SMILESO[C@@H]1C[C@H](Cc2ccccc2)N[C@H](C2CCCCC2)C1
InChIInChI=1S/C18H27NO/c20-17-12-16(11-14-7-3-1-4-8-14)19-18(13-17)15-9-5-2-6-10-15/h1,3-4,7-8,15-20H,2,5-6,9-13H2/t16-,17+,18-/m0/s1
InChIKeyJAONUYSSDPLZQZ-KSZLIROESA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;hydrochloride
CID 154790096
6-benzylpiperidin-2-ol
CID 163764963
tert-butyl (2S)-2-benzyl-1,2,3,3a,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine-4-carboxylate
CID 175662712
(3S,5R)-3-benzyl-5-cyclohexylpiperazin-2-one
CID 132820338
(3S,5S)-3-benzyl-5-cyclohexylpiperazin-2-one
CID 132820346
1,3-dibenzylcyclooctane
CID 3045388
3-benzyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 85436082
3-(benzylamino)-4-cyclohexylcyclopentane-1,2-diol
CID 78150855
6-benzylpiperidine-2-carboxylic acid
CID 112574120
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-phenylethanone
CID 116585916
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
(5R)-5-benzylpyrrolidin-2-one
CID 740530

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol?
The IUPAC name of (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol (CID 102259871) is (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol.
What is the SMILES notation for (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol?
The canonical SMILES for (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol is O[C@@H]1C[C@H](Cc2ccccc2)N[C@H](C2CCCCC2)C1.
What is the InChIKey of (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol?
The InChIKey is JAONUYSSDPLZQZ-KSZLIROESA-N. The full InChI is InChI=1S/C18H27NO/c20-17-12-16(11-14-7-3-1-4-8-14)19-18(13-17)15-9-5-2-6-10-15/h1,3-4,7-8,15-20H,2,5-6,9-13H2/t16-,17+,18-/m0/s1.
What are the key properties of (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol?
(2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol has a molecular weight of 273.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2-benzyl-6-cyclohexylpiperidin-4-ol is sourced from PubChem (CID 102259871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).