4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol

C16H20N2O — CID 141093134

IUPAC4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol
SMILESCc1cccn1C1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H20N2O/c1-13-4-3-11-18(13)15-6-8-16(19,9-7-15)14-5-2-10-17-12-14/h2-5,10-12,15,19H,6-9H2,1H3
InChIKeyQTEIVZTYKLIWND-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.19
Rot. Bonds2

About 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol

4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol (PubChem CID 141093134) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol
PubChem CID141093134
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol
SMILESCc1cccn1C1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H20N2O/c1-13-4-3-11-18(13)15-6-8-16(19,9-7-15)14-5-2-10-17-12-14/h2-5,10-12,15,19H,6-9H2,1H3
InChIKeyQTEIVZTYKLIWND-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol
CID 141093156
(7aS)-2-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-7a-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 167748962
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135103015
1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135096791
3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
CID 103564024
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
1-(2-fluorophenyl)-4-pyridin-3-ylpiperidin-4-ol
CID 162057250
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol?
The IUPAC name of 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol (CID 141093134) is 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol?
The canonical SMILES for 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol is Cc1cccn1C1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol?
The InChIKey is QTEIVZTYKLIWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-4-3-11-18(13)15-6-8-16(19,9-7-15)14-5-2-10-17-12-14/h2-5,10-12,15,19H,6-9H2,1H3.
What are the key properties of 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol?
4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol is sourced from PubChem (CID 141093134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).