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

C14H21NO — CID 114794983

IUPAC2-cyclohexyl-1-pyridin-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-14(16,12-7-3-2-4-8-12)11-13-9-5-6-10-15-13/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
InChIKeyAMDJGDNRJJLSAZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds3

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

2-cyclohexyl-1-pyridin-2-ylpropan-2-ol (PubChem CID 114794983) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-pyridin-2-ylpropan-2-ol
PubChem CID114794983
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-cyclohexyl-1-pyridin-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccccn1)C1CCCCC1
InChIInChI=1S/C14H21NO/c1-14(16,12-7-3-2-4-8-12)11-13-9-5-6-10-15-13/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
InChIKeyAMDJGDNRJJLSAZ-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-(2-fluoro-2-piperidin-3-ylpropyl)pyridine
CID 112564766
2-cyclohexyl-1-(4-fluorophenyl)propan-2-ol
CID 114794899
2-cyclohexyl-1-naphthalen-1-ylpropan-2-ol
CID 114795042
2-cyclohexyl-1-(4-methylphenyl)propan-2-ol
CID 114794900
2-(cyclohexylmethyl)pyridine
CID 14762660
1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794962
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
1-(4-amino-3-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794811
cycloheptyl-methyl-(2-pyridin-2-ylethyl)azanium
CID 4741246
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
1-cyclohexyl-2,2,2-trifluoro-1-pyridin-2-ylethanol
CID 146397118

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol?
The IUPAC name of 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol (CID 114794983) is 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol is CC(O)(Cc1ccccn1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol?
The InChIKey is AMDJGDNRJJLSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(16,12-7-3-2-4-8-12)11-13-9-5-6-10-15-13/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3.
What are the key properties of 2-cyclohexyl-1-pyridin-2-ylpropan-2-ol?
2-cyclohexyl-1-pyridin-2-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-2-ylpropan-2-ol is sourced from PubChem (CID 114794983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).