1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one

C14H19NO2 — CID 103457420

IUPAC1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)C(O)C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13(9-11-5-4-8-15-10-11)14(17)12-6-2-1-3-7-12/h4-5,8,10,12,14,17H,1-3,6-7,9H2
InChIKeyKUHBCNCIKQLSKB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.13
Rot. Bonds4

About 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one

1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one (PubChem CID 103457420) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
PubChem CID103457420
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)C(O)C1CCCCC1
InChIInChI=1S/C14H19NO2/c16-13(9-11-5-4-8-15-10-11)14(17)12-6-2-1-3-7-12/h4-5,8,10,12,14,17H,1-3,6-7,9H2
InChIKeyKUHBCNCIKQLSKB-UHFFFAOYSA-N
XLogP2.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclohexyl-2-hydroxy-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 91836246
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 103457418
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
CID 126803646
3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one
CID 116573963
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one (CID 103457420) is 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one is O=C(Cc1cccnc1)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one?
The InChIKey is KUHBCNCIKQLSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13(9-11-5-4-8-15-10-11)14(17)12-6-2-1-3-7-12/h4-5,8,10,12,14,17H,1-3,6-7,9H2.
What are the key properties of 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one?
1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 103457420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).