2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol

C10H17NO — CID 171556529

IUPAC2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC1=CNC(C(C)(C)O)C=C1C
InChIInChI=1S/C10H17NO/c1-7-5-9(10(3,4)12)11-6-8(7)2/h5-6,9,11-12H,1-4H3
InChIKeyKJBBCAJKHQMXHZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.58
Rot. Bonds1

About 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol

2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol (PubChem CID 171556529) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol
PubChem CID171556529
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol
SMILESCC1=CNC(C(C)(C)O)C=C1C
InChIInChI=1S/C10H17NO/c1-7-5-9(10(3,4)12)11-6-8(7)2/h5-6,9,11-12H,1-4H3
InChIKeyKJBBCAJKHQMXHZ-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The IUPAC name of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol (CID 171556529) is 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The canonical SMILES for 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol is CC1=CNC(C(C)(C)O)C=C1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
The InChIKey is KJBBCAJKHQMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-5-9(10(3,4)12)11-6-8(7)2/h5-6,9,11-12H,1-4H3.
What are the key properties of 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol?
2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2-dihydropyridin-2-yl)propan-2-ol is sourced from PubChem (CID 171556529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).