(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol

C19H23NO — CID 125488579

IUPAC(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol
SMILESO[C@H](C1CCCCC1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H23NO/c21-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1,3-4,7-10,13-14,16,18-19,21H,2,5-6,11-12H2/t18-,19+/m0/s1
InChIKeyRNUAIBASTLHPIT-RBUKOAKNSA-N
MW281.40 g/mol
LogP4.15
Rot. Bonds4

About (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol

(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol (PubChem CID 125488579) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol
PubChem CID125488579
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol
SMILESO[C@H](C1CCCCC1)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H23NO/c21-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1,3-4,7-10,13-14,16,18-19,21H,2,5-6,11-12H2/t18-,19+/m0/s1
InChIKeyRNUAIBASTLHPIT-RBUKOAKNSA-N
XLogP4.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-[(1R)-cyclohex-3-en-1-yl]-2-phenyl-2-pyridin-2-ylethanol
CID 125488292
(1R)-1-cyclopentyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 81389751
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
2-[cyclopentyl(iodo)methyl]pyridine
CID 89130084
2-amino-1-cyclopropyl-2-pyridin-2-ylethanol
CID 82409953
(R)-cycloheptyl(phenyl)methanol
CID 94502427
1-cyclooctyl-2-pyridin-2-ylpropan-1-amine
CID 66448173
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol?
The IUPAC name of (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol (CID 125488579) is (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol is O[C@H](C1CCCCC1)[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol?
The InChIKey is RNUAIBASTLHPIT-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO/c21-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)17-13-7-8-14-20-17/h1,3-4,7-10,13-14,16,18-19,21H,2,5-6,11-12H2/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol?
(1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol has a molecular weight of 281.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-2-phenyl-2-pyridin-2-ylethanol is sourced from PubChem (CID 125488579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).