4,6-dimethyl-2-piperidin-3-yl-4H-azepine

C13H20N2 — CID 143003990

IUPAC4,6-dimethyl-2-piperidin-3-yl-4H-azepine
SMILESCC1=CC(C)C=C(C2CCCNC2)N=C1
InChIInChI=1S/C13H20N2/c1-10-6-11(2)8-15-13(7-10)12-4-3-5-14-9-12/h6-8,10,12,14H,3-5,9H2,1-2H3
InChIKeyHUMMUIVAQAZYCY-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.54
Rot. Bonds1

About 4,6-dimethyl-2-piperidin-3-yl-4H-azepine

4,6-dimethyl-2-piperidin-3-yl-4H-azepine (PubChem CID 143003990) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-piperidin-3-yl-4H-azepine.

Molecular Properties

Compound Name4,6-dimethyl-2-piperidin-3-yl-4H-azepine
PubChem CID143003990
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4,6-dimethyl-2-piperidin-3-yl-4H-azepine
SMILESCC1=CC(C)C=C(C2CCCNC2)N=C1
InChIInChI=1S/C13H20N2/c1-10-6-11(2)8-15-13(7-10)12-4-3-5-14-9-12/h6-8,10,12,14H,3-5,9H2,1-2H3
InChIKeyHUMMUIVAQAZYCY-UHFFFAOYSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-2-piperidin-3-yl-4H-azepine 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

Hexahydro-1,6-naphthyridine
CID 142921049
1,6-Naphthyridine-d8
CID 129654637
4-(3H-pyrrol-5-ylmethyl)piperidine
CID 54520917
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
5-(6-Methyl-3,4-dihydropyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 87160518
6-Piperidin-3-yl-3,4-dihydropyridine
CID 90103419
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
2-Methyl-6-(piperidin-4-ylmethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 134406694
(Z)-N-(1-piperidin-3-ylethenyl)but-2-en-1-imine
CID 134527720
(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine
CID 139358391
6-Piperidin-4-yl-3,4-dihydropyridine
CID 142892723

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-piperidin-3-yl-4H-azepine?
The IUPAC name of 4,6-dimethyl-2-piperidin-3-yl-4H-azepine (CID 143003990) is 4,6-dimethyl-2-piperidin-3-yl-4H-azepine.
What is the SMILES notation for 4,6-dimethyl-2-piperidin-3-yl-4H-azepine?
The canonical SMILES for 4,6-dimethyl-2-piperidin-3-yl-4H-azepine is CC1=CC(C)C=C(C2CCCNC2)N=C1.
What is the InChIKey of 4,6-dimethyl-2-piperidin-3-yl-4H-azepine?
The InChIKey is HUMMUIVAQAZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-11(2)8-15-13(7-10)12-4-3-5-14-9-12/h6-8,10,12,14H,3-5,9H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-piperidin-3-yl-4H-azepine?
4,6-dimethyl-2-piperidin-3-yl-4H-azepine has a molecular weight of 204.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-piperidin-3-yl-4H-azepine is sourced from PubChem (CID 143003990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).