1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane

C16H23FN2O — CID 56907793

IUPAC1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane
SMILESFc1ccc(N2CCCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C16H23FN2O/c17-15-2-4-16(5-3-15)19-8-1-7-18(9-10-19)12-14-6-11-20-13-14/h2-5,14H,1,6-13H2
InChIKeyPESXFBRAFQHGRW-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane

1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane (PubChem CID 56907793) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane
PubChem CID56907793
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane
SMILESFc1ccc(N2CCCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C16H23FN2O/c17-15-2-4-16(5-3-15)19-8-1-7-18(9-10-19)12-14-6-11-20-13-14/h2-5,14H,1,6-13H2
InChIKeyPESXFBRAFQHGRW-UHFFFAOYSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-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

4-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 43194688
1-N,1-N,2-N-trimethyl-2-N-[[(3R)-oxolan-3-yl]methyl]benzene-1,2-diamine
CID 97327924
(5aR,9aR)-8-(3-fluorophenyl)-4-(2-methoxyethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 125184776
(5aR,9aR)-8-(3-fluorophenyl)-4-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 125185264
[1-(2-Fluorophenyl)pyrrolidin-3-yl]methanol
CID 24275472
3-Pyrrolidinemethanol, 1-(4-fluorophenyl)-, hydrochloride
CID 24275473
2-(4-Phenyl-1,4-diazepan-1-yl)ethyl hypofluorite
CID 141990646
N-(4-fluorophenyl)-N-methyloxolan-2-amine
CID 153892305
2-fluoro-4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 154665614
2-Fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]aniline
CID 155026112
[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methoxymethanamine
CID 163995029
1-(3-Fluorophenyl)-4,6-dimethyl-1,4-diazepane
CID 170641393

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane?
The IUPAC name of 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane (CID 56907793) is 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane?
The canonical SMILES for 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane is Fc1ccc(N2CCCN(CC3CCOC3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane?
The InChIKey is PESXFBRAFQHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c17-15-2-4-16(5-3-15)19-8-1-7-18(9-10-19)12-14-6-11-20-13-14/h2-5,14H,1,6-13H2.
What are the key properties of 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane?
1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane has a molecular weight of 278.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(oxolan-3-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 56907793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).