1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol

C17H25NO2 — CID 122181167

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-16-9-5-4-8-15(16)18-12-10-17(20,11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,19-20H,4-5,8-13H2/t15-,16-/m1/s1
InChIKeyRQCILCXQDLFIJH-HZPDHXFCSA-N
MW275.39 g/mol
LogP2.27
Rot. Bonds2

About 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol

1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol (PubChem CID 122181167) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol
PubChem CID122181167
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c19-16-9-5-4-8-15(16)18-12-10-17(20,11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,19-20H,4-5,8-13H2/t15-,16-/m1/s1
InChIKeyRQCILCXQDLFIJH-HZPDHXFCSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
Diphenidol Hydrochloride
CID 66266
Pipradrol
CID 10083
N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
Traxoprodil
CID 219101
Glemanserin
CID 71781
Cycrimine
CID 2911
Hexocyclium
CID 24199

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol (CID 122181167) is 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol is O[C@@H]1CCCC[C@H]1N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol?
The InChIKey is RQCILCXQDLFIJH-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25NO2/c19-16-9-5-4-8-15(16)18-12-10-17(20,11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-16,19-20H,4-5,8-13H2/t15-,16-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol?
1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol has a molecular weight of 275.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 122181167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).