2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol

C12H17NO — CID 114877786

IUPAC2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CC1CCC1
InChIInChI=1S/C12H17NO/c1-9-5-6-13-8-11(9)12(14)7-10-3-2-4-10/h5-6,8,10,12,14H,2-4,7H2,1H3
InChIKeyHOWJMOWNCDXSEH-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.61
Rot. Bonds3

About 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol

2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol (PubChem CID 114877786) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
PubChem CID114877786
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CC1CCC1
InChIInChI=1S/C12H17NO/c1-9-5-6-13-8-11(9)12(14)7-10-3-2-4-10/h5-6,8,10,12,14H,2-4,7H2,1H3
InChIKeyHOWJMOWNCDXSEH-UHFFFAOYSA-N
XLogP2.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
cycloheptyl-(4-methyl-3-pyridinyl)methanol
CID 66273523
(4-ethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 66273542
2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
CID 131000904
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
(4-methyl-3-pyridinyl)-(oxan-4-yl)methanol
CID 66272876
2-cyclobutyl-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105100889
[2-cyclopentyl-1-(3-methyl-4-pyridinyl)ethyl]hydrazine
CID 105261770
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol (CID 114877786) is 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol is Cc1ccncc1C(O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol?
The InChIKey is HOWJMOWNCDXSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-6-13-8-11(9)12(14)7-10-3-2-4-10/h5-6,8,10,12,14H,2-4,7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol?
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol has a molecular weight of 191.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 114877786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).