2-cyclohexyl-1-pyridin-3-ylpropan-2-ol

C14H21NO — CID 114795036

IUPAC2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-14(16,13-7-3-2-4-8-13)10-12-6-5-9-15-11-12/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3
InChIKeyWULKUIKJEFKDQB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

About 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol

2-cyclohexyl-1-pyridin-3-ylpropan-2-ol (PubChem CID 114795036) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
PubChem CID114795036
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclohexyl-1-pyridin-3-ylpropan-2-ol
SMILESCC(O)(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-14(16,13-7-3-2-4-8-13)10-12-6-5-9-15-11-12/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3
InChIKeyWULKUIKJEFKDQB-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-pyridin-3-ylpropan-2-ol
CID 104735640
1-[(2S)-2-cyclohexyl-2-hydroxypropyl]-3-(2-pyridin-3-ylethyl)urea
CID 99831815
2-cyclohexyl-1-(4-methylphenyl)propan-2-ol
CID 114794900
1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794962
1-(4-amino-3-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794811
2-cyclohexyl-1-(4-fluorophenyl)propan-2-ol
CID 114794899
3-(2-cyclohexylpropan-2-yl)pyridine
CID 91076672
dicyclohexyl(pyridin-3-yl)methanol
CID 70631118
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104735914
1-amino-3,3-dimethyl-2-(pyridin-3-ylmethyl)butan-2-ol
CID 104735827
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol?
The IUPAC name of 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol (CID 114795036) is 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol is CC(O)(Cc1cccnc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol?
The InChIKey is WULKUIKJEFKDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(16,13-7-3-2-4-8-13)10-12-6-5-9-15-11-12/h5-6,9,11,13,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol?
2-cyclohexyl-1-pyridin-3-ylpropan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 114795036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).