[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol

C18H27NO — CID 26458344

IUPAC[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27NO/c20-14-15-5-4-12-19(13-15)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,20H,4-5,8-14H2/t15-,17?,18?/m0/s1
InChIKeyZDGRGXAZRSYYIJ-ZLPCBKJTSA-N
MW273.42 g/mol
LogP3.42
Rot. Bonds3

About [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol

[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol (PubChem CID 26458344) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
PubChem CID26458344
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27NO/c20-14-15-5-4-12-19(13-15)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,20H,4-5,8-14H2/t15-,17?,18?/m0/s1
InChIKeyZDGRGXAZRSYYIJ-ZLPCBKJTSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
CID 174695572
[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
2-(1,3-dihydroisoindol-2-yl)-1-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 125160944
1-(4-phenylcyclohexyl)piperazine chloride
CID 53347254
3-methyl-1-(4-phenylcyclohexyl)azetidine
CID 90791432
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684623
(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 698856
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol (CID 26458344) is [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol is OC[C@H]1CCCN(C2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol?
The InChIKey is ZDGRGXAZRSYYIJ-ZLPCBKJTSA-N. The full InChI is InChI=1S/C18H27NO/c20-14-15-5-4-12-19(13-15)18-10-8-17(9-11-18)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,20H,4-5,8-14H2/t15-,17?,18?/m0/s1.
What are the key properties of [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol?
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol has a molecular weight of 273.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol is sourced from PubChem (CID 26458344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).