3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol

C12H17NO — CID 103564024

IUPAC3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cccnc2)C1
InChIInChI=1S/C12H17NO/c1-9(2)10-6-12(14,7-10)11-4-3-5-13-8-11/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyUPMHPIIRLFUQTR-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.34
Rot. Bonds2

About 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol

3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol (PubChem CID 103564024) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
PubChem CID103564024
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cccnc2)C1
InChIInChI=1S/C12H17NO/c1-9(2)10-6-12(14,7-10)11-4-3-5-13-8-11/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyUPMHPIIRLFUQTR-UHFFFAOYSA-N
XLogP2.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
CID 103564190
(3-hydroxy-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-2-ylmethanone
CID 649299
3-hydroxy-N-propyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 648116
5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine
CID 54861215
(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842
4-(2-methylpyrrol-1-yl)-1-pyridin-3-ylcyclohexan-1-ol
CID 141093134
2-methyl-1-pyridin-3-ylcyclopentan-1-ol
CID 65049879
2-methyl-3-pyridin-3-ylthiolan-3-ol
CID 112708905
1-(3-chloro-4-methylphenyl)-3-propan-2-ylcyclobutan-1-ol
CID 107559714
1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol
CID 103563985
2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
CID 80522198

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol?
The IUPAC name of 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol (CID 103564024) is 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol is CC(C)C1CC(O)(c2cccnc2)C1.
What is the InChIKey of 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol?
The InChIKey is UPMHPIIRLFUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)10-6-12(14,7-10)11-4-3-5-13-8-11/h3-5,8-10,14H,6-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol?
3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol is sourced from PubChem (CID 103564024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).