1-(1,2-dihydropyridin-4-yl)-1,4-diazepane

C10H17N3 — CID 86340381

IUPAC1-(1,2-dihydropyridin-4-yl)-1,4-diazepane
SMILESC1=CC(N2CCCNCC2)=CCN1
InChIInChI=1S/C10H17N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h2-3,5,11-12H,1,4,6-9H2
InChIKeyMOPJDUHUZFCFMB-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.28
Rot. Bonds1

About 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane

1-(1,2-dihydropyridin-4-yl)-1,4-diazepane (PubChem CID 86340381) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-4-yl)-1,4-diazepane
PubChem CID86340381
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1,2-dihydropyridin-4-yl)-1,4-diazepane
SMILESC1=CC(N2CCCNCC2)=CCN1
InChIInChI=1S/C10H17N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h2-3,5,11-12H,1,4,6-9H2
InChIKeyMOPJDUHUZFCFMB-UHFFFAOYSA-N
XLogP0.28
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane 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

ethane;1-(2H-pyran-4-yl)piperazine
CID 178177938
ethane;1-(4-fluorophenyl)-1,4-diazepane
CID 168950071
1,2,3,4,5,6,8,9-octahydropyrrolo[1,2-a][1,5]diazocine
CID 171853486
1-(4-ethyl-4-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 129031822
1-(6-bromo-3-pyridinyl)-1,4-diazepane
CID 10131290
1-(2-bromo-4-chlorophenyl)-1,4-diazepane
CID 81272279
1-(5-bromo-2-methylphenyl)-1,4-diazepane
CID 64943208
1-(2-bromo-3-chlorophenyl)-1,4-diazepane
CID 103481679
1-(5-bromo-2-chlorophenyl)-1,4-diazepane
CID 64949592
1-ethoxy-N,N-dimethyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 67011254
1-(3,5-dibromophenyl)piperazine
CID 21331858
3-(1,4-diazepan-1-yl)aniline
CID 22478590

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane?
The IUPAC name of 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane (CID 86340381) is 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane is C1=CC(N2CCCNCC2)=CCN1.
What is the InChIKey of 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane?
The InChIKey is MOPJDUHUZFCFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h2-3,5,11-12H,1,4,6-9H2.
What are the key properties of 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane?
1-(1,2-dihydropyridin-4-yl)-1,4-diazepane has a molecular weight of 179.27 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-4-yl)-1,4-diazepane is sourced from PubChem (CID 86340381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).