1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride

C14H22ClFN2 — CID 120834349

IUPAC1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
SMILESCC(CN1CCCNCC1)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-12(13-3-5-14(15)6-4-13)11-17-9-2-7-16-8-10-17;/h3-6,12,16H,2,7-11H2,1H3;1H
InChIKeyXLYJRAOTXWTSEW-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.65
Rot. Bonds3

About 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride

1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride (PubChem CID 120834349) has the molecular formula C14H22ClFN2 and a molecular weight of 272.80 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
PubChem CID120834349
Molecular FormulaC14H22ClFN2
Molecular Weight272.80 g/mol
Exact Mass272.15
IUPAC Name1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
SMILESCC(CN1CCCNCC1)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H21FN2.ClH/c1-12(13-3-5-14(15)6-4-13)11-17-9-2-7-16-8-10-17;/h3-6,12,16H,2,7-11H2,1H3;1H
InChIKeyXLYJRAOTXWTSEW-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride 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-[2-(4-bromophenyl)propyl]-1,4-diazepane
CID 82094588
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[2-(4-ethylphenyl)propyl]piperazine
CID 82289918
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
1-[2-(2-methoxyphenyl)propyl]-1,4-diazepane
CID 82086944
1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
CID 82510778
2-(1,4-diazepan-1-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 62839206
1-[1-[2-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838983
1-[2-(4-fluorophenyl)propyl]-2-methylpiperazine
CID 120837102
(3S)-1-[2-(4-fluorophenyl)propyl]pyrrolidin-3-amine;hydrochloride
CID 120836364
1-[1-[2-(4-fluorophenyl)propyl]piperidin-3-yl]ethanamine
CID 120841093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride (CID 120834349) is 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride is CC(CN1CCCNCC1)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride?
The InChIKey is XLYJRAOTXWTSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2.ClH/c1-12(13-3-5-14(15)6-4-13)11-17-9-2-7-16-8-10-17;/h3-6,12,16H,2,7-11H2,1H3;1H.
What are the key properties of 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride?
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride is sourced from PubChem (CID 120834349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).