(2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol

C18H26FNO — CID 155992539

IUPAC(2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccccc1F
InChIInChI=1S/C18H26FNO/c19-16-10-5-4-7-14(16)13-17-18(21)11-6-12-20(17)15-8-2-1-3-9-15/h4-5,7,10,15,17-18,21H,1-3,6,8-9,11-13H2/t17-,18-/m0/s1
InChIKeyOPAMUFXWHSYEBC-ROUUACIJSA-N
MW291.41 g/mol
LogP3.53
Rot. Bonds3

About (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol

(2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol (PubChem CID 155992539) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol
PubChem CID155992539
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name(2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol
SMILESO[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccccc1F
InChIInChI=1S/C18H26FNO/c19-16-10-5-4-7-14(16)13-17-18(21)11-6-12-20(17)15-8-2-1-3-9-15/h4-5,7,10,15,17-18,21H,1-3,6,8-9,11-13H2/t17-,18-/m0/s1
InChIKeyOPAMUFXWHSYEBC-ROUUACIJSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol?
The IUPAC name of (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol (CID 155992539) is (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol is O[C@H]1CCCN(C2CCCCC2)[C@H]1Cc1ccccc1F.
What is the InChIKey of (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol?
The InChIKey is OPAMUFXWHSYEBC-ROUUACIJSA-N. The full InChI is InChI=1S/C18H26FNO/c19-16-10-5-4-7-14(16)13-17-18(21)11-6-12-20(17)15-8-2-1-3-9-15/h4-5,7,10,15,17-18,21H,1-3,6,8-9,11-13H2/t17-,18-/m0/s1.
What are the key properties of (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol?
(2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol has a molecular weight of 291.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-cyclohexyl-2-[(2-fluorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 155992539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).