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

C14H21NO — CID 62605827

IUPAC1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)CC1CCCCC1
InChIInChI=1S/C14H21NO/c16-14(9-12-5-2-1-3-6-12)10-13-7-4-8-15-11-13/h4,7-8,11-12,14,16H,1-3,5-6,9-10H2
InChIKeyUFROGRVPJYIRMV-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds4

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

1-cyclohexyl-3-pyridin-3-ylpropan-2-ol (PubChem CID 62605827) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
PubChem CID62605827
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
SMILESOC(Cc1cccnc1)CC1CCCCC1
InChIInChI=1S/C14H21NO/c16-14(9-12-5-2-1-3-6-12)10-13-7-4-8-15-11-13/h4,7-8,11-12,14,16H,1-3,5-6,9-10H2
InChIKeyUFROGRVPJYIRMV-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-cyclopentyl-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 103157191
1-cyclohexyl-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62603236
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736202
1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol (CID 62605827) is 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol is OC(Cc1cccnc1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol?
The InChIKey is UFROGRVPJYIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c16-14(9-12-5-2-1-3-6-12)10-13-7-4-8-15-11-13/h4,7-8,11-12,14,16H,1-3,5-6,9-10H2.
What are the key properties of 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol?
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 62605827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).