5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine

C14H22N2 — CID 142941032

IUPAC5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine
SMILESCCC1=CC(C2CCN(C)CC2)=NCC=C1
InChIInChI=1S/C14H22N2/c1-3-12-5-4-8-15-14(11-12)13-6-9-16(2)10-7-13/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyBUSLCYDOPOXMHV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.68
Rot. Bonds2

About 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine

5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine (PubChem CID 142941032) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine.

Molecular Properties

Compound Name5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine
PubChem CID142941032
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine
SMILESCCC1=CC(C2CCN(C)CC2)=NCC=C1
InChIInChI=1S/C14H22N2/c1-3-12-5-4-8-15-14(11-12)13-6-9-16(2)10-7-13/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyBUSLCYDOPOXMHV-UHFFFAOYSA-N
XLogP2.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-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

2-(1-ethylpiperidin-4-yl)-2H-indole
CID 57002424
carbanide;4-(5-methyl-2H-pyrrol-3-yl)piperidin-1-ide;tungsten(2+)
CID 58578255
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
2,8-Dimethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 67309399
1,7-Diazatricyclo[6.2.2.23,6]tetradeca-3(14),4,6-triene
CID 68084730
2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
N,5,6-trimethyl-1-[(3-methylcyclohepta-1,4,6-trien-1-yl)methyl]-2,3-dihydropyridin-4-imine
CID 91314131
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
N-[[4-[(1-pentan-2-ylpiperidin-4-ylidene)methylidene]cyclohexa-1,5-dien-1-yl]methyl]butan-2-imine
CID 123432257
N-methyl-4-[(3-methyl-2,5-dihydropyrrol-1-yl)methyl]cyclohex-2-en-1-imine
CID 123481717
4-[(4-Methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123720024
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine?
The IUPAC name of 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine (CID 142941032) is 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine.
What is the SMILES notation for 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine?
The canonical SMILES for 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine is CCC1=CC(C2CCN(C)CC2)=NCC=C1.
What is the InChIKey of 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine?
The InChIKey is BUSLCYDOPOXMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-12-5-4-8-15-14(11-12)13-6-9-16(2)10-7-13/h4-5,11,13H,3,6-10H2,1-2H3.
What are the key properties of 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine?
5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine has a molecular weight of 218.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine is sourced from PubChem (CID 142941032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).