1-[2-(4-bromophenyl)prop-2-enyl]piperidine

C14H18BrN — CID 53360982

IUPAC1-[2-(4-bromophenyl)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN/c1-12(11-16-9-3-2-4-10-16)13-5-7-14(15)8-6-13/h5-8H,1-4,9-11H2
InChIKeyTWNRXEYKXDROHM-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.95
Rot. Bonds3

About 1-[2-(4-bromophenyl)prop-2-enyl]piperidine

1-[2-(4-bromophenyl)prop-2-enyl]piperidine (PubChem CID 53360982) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)prop-2-enyl]piperidine
PubChem CID53360982
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name1-[2-(4-bromophenyl)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN/c1-12(11-16-9-3-2-4-10-16)13-5-7-14(15)8-6-13/h5-8H,1-4,9-11H2
InChIKeyTWNRXEYKXDROHM-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-bromophenyl)prop-2-enyl]piperidine 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-(4-bromophenyl)-2-(piperidin-1-ylmethyl)prop-2-en-1-one;hydrochloride
CID 12859780
1-[2-(4-methoxyphenyl)prop-2-enyl]piperidine
CID 53360981
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
1-(4-bromophenyl)-2-pyrrolidin-1-ylethanol
CID 66874094
2-(4-bromophenyl)prop-2-enyl-trimethylazanium
CID 14174230
2-[4-(4-bromobenzoyl)piperazin-1-yl]acetic acid
CID 43521570
1-[4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]ethanone
CID 11507029
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
(1S,2R)-3-(azepan-1-yl)-1-(4-bromophenyl)-2-phenylpropan-1-ol
CID 31196420
(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 17011291
1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43219918

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)prop-2-enyl]piperidine?
The IUPAC name of 1-[2-(4-bromophenyl)prop-2-enyl]piperidine (CID 53360982) is 1-[2-(4-bromophenyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(4-bromophenyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-[2-(4-bromophenyl)prop-2-enyl]piperidine is C=C(CN1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)prop-2-enyl]piperidine?
The InChIKey is TWNRXEYKXDROHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c1-12(11-16-9-3-2-4-10-16)13-5-7-14(15)8-6-13/h5-8H,1-4,9-11H2.
What are the key properties of 1-[2-(4-bromophenyl)prop-2-enyl]piperidine?
1-[2-(4-bromophenyl)prop-2-enyl]piperidine has a molecular weight of 280.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)prop-2-enyl]piperidine is sourced from PubChem (CID 53360982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).