1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane

C14H19FN2 — CID 91941402

IUPAC1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
SMILESFc1ccc(C=CCN2CCCNCC2)cc1
InChIInChI=1S/C14H19FN2/c15-14-6-4-13(5-7-14)3-1-10-17-11-2-8-16-9-12-17/h1,3-7,16H,2,8-12H2
InChIKeyKSFKJYBHQKKCMG-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.13
Rot. Bonds3

About 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane

1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane (PubChem CID 91941402) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
PubChem CID91941402
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
SMILESFc1ccc(C=CCN2CCCNCC2)cc1
InChIInChI=1S/C14H19FN2/c15-14-6-4-13(5-7-14)3-1-10-17-11-2-8-16-9-12-17/h1,3-7,16H,2,8-12H2
InChIKeyKSFKJYBHQKKCMG-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
CID 95457646
1-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]-1,4-diazepane
CID 95466896
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
CID 54341299
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperazine
CID 10479663
1-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 77081809
1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]pyrrolidin-3-yl]piperidine
CID 99929236
1-[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enyl]-1,4-diazepane
CID 82301892
1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine
CID 82304677
1-[3-(4-fluorophenyl)prop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
CID 127264798

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane?
The IUPAC name of 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane (CID 91941402) is 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane.
What is the SMILES notation for 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane?
The canonical SMILES for 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane is Fc1ccc(C=CCN2CCCNCC2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane?
The InChIKey is KSFKJYBHQKKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-14-6-4-13(5-7-14)3-1-10-17-11-2-8-16-9-12-17/h1,3-7,16H,2,8-12H2.
What are the key properties of 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane?
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane has a molecular weight of 234.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane is sourced from PubChem (CID 91941402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).