2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol

C14H21NO2 — CID 117246006

IUPAC2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
SMILESOCC(COc1cccnc1)C1CCCCC1
InChIInChI=1S/C14H21NO2/c16-10-13(12-5-2-1-3-6-12)11-17-14-7-4-8-15-9-14/h4,7-9,12-13,16H,1-3,5-6,10-11H2
InChIKeyJWXPCIVWOXCPEN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds5

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

2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol (PubChem CID 117246006) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
PubChem CID117246006
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
SMILESOCC(COc1cccnc1)C1CCCCC1
InChIInChI=1S/C14H21NO2/c16-10-13(12-5-2-1-3-6-12)11-17-14-7-4-8-15-9-14/h4,7-9,12-13,16H,1-3,5-6,10-11H2
InChIKeyJWXPCIVWOXCPEN-UHFFFAOYSA-N
XLogP2.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
CID 117245651
2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
2-pyridin-3-yloxy-1-pyrrolidin-3-ylethanol
CID 117237507
2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine
CID 117238951
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
3-cycloheptyloxypyridine
CID 112558615
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
CID 141444032
3-(aminomethyl)-4-pyridin-3-yloxybutan-1-ol
CID 117236929

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol?
The IUPAC name of 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol (CID 117246006) is 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol.
What is the SMILES notation for 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol?
The canonical SMILES for 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol is OCC(COc1cccnc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol?
The InChIKey is JWXPCIVWOXCPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-13(12-5-2-1-3-6-12)11-17-14-7-4-8-15-9-14/h4,7-9,12-13,16H,1-3,5-6,10-11H2.
What are the key properties of 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol?
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol is sourced from PubChem (CID 117246006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).