(3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol

C18H26FNO — CID 155992848

IUPAC(3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@@H]1CN(C2CCCCC2)CC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H26FNO/c19-16-6-4-5-14(12-16)11-15-9-10-20(13-18(15)21)17-7-2-1-3-8-17/h4-6,12,15,17-18,21H,1-3,7-11,13H2/t15-,18-/m1/s1
InChIKeyDDAWBMXLFOGQLL-CRAIPNDOSA-N
MW291.41 g/mol
LogP3.38
Rot. Bonds3

About (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol

(3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 155992848) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol
PubChem CID155992848
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name(3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@@H]1CN(C2CCCCC2)CC[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H26FNO/c19-16-6-4-5-14(12-16)11-15-9-10-20(13-18(15)21)17-7-2-1-3-8-17/h4-6,12,15,17-18,21H,1-3,7-11,13H2/t15-,18-/m1/s1
InChIKeyDDAWBMXLFOGQLL-CRAIPNDOSA-N
XLogP3.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-[(3-fluorophenyl)methyl]-3-methoxy-1-(oxan-4-yl)piperidine
CID 155992863
[(3S,4S)-4-[(3-fluorophenyl)methyl]-3-hydroxypiperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 155992936
2-[2-(3-fluorophenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79925729
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
N-[2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111919977
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 175660491
tert-butyl (3S,4R)-4-amino-3-[(3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 123134884

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol (CID 155992848) is (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol is O[C@@H]1CN(C2CCCCC2)CC[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is DDAWBMXLFOGQLL-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H26FNO/c19-16-6-4-5-14(12-16)11-15-9-10-20(13-18(15)21)17-7-2-1-3-8-17/h4-6,12,15,17-18,21H,1-3,7-11,13H2/t15-,18-/m1/s1.
What are the key properties of (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol?
(3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 291.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cyclohexyl-4-[(3-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 155992848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).