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

C12H17NO — CID 130961576

IUPAC2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CC1(C)CC1
InChIInChI=1S/C12H17NO/c1-9-3-6-13-8-10(9)11(14)7-12(2)4-5-12/h3,6,8,11,14H,4-5,7H2,1-2H3
InChIKeyWJOQSNURFBMCCQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.61
Rot. Bonds3

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

2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol (PubChem CID 130961576) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol
PubChem CID130961576
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol
SMILESCc1ccncc1C(O)CC1(C)CC1
InChIInChI=1S/C12H17NO/c1-9-3-6-13-8-10(9)11(14)7-12(2)4-5-12/h3,6,8,11,14H,4-5,7H2,1-2H3
InChIKeyWJOQSNURFBMCCQ-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

Analyze 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol
CID 130943640
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
1-(4-methyl-3-pyridinyl)octan-1-ol
CID 66273519
(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116755515
2-(2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanol
CID 66272470
(4-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105110785
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
(4-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methanol
CID 66271184

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol (CID 130961576) is 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol is Cc1ccncc1C(O)CC1(C)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol?
The InChIKey is WJOQSNURFBMCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-6-13-8-10(9)11(14)7-12(2)4-5-12/h3,6,8,11,14H,4-5,7H2,1-2H3.
What are the key properties of 2-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol?
2-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1-(4-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 130961576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).