2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

C14H22BrN3 — CID 82095191

IUPAC2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CC(CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H22BrN3/c1-17-6-8-18(9-7-17)11-13(10-16)12-2-4-14(15)5-3-12/h2-5,13H,6-11,16H2,1H3
InChIKeyGGHWZJRFAFEESQ-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine

2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 82095191) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID82095191
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCN1CCN(CC(CN)c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H22BrN3/c1-17-6-8-18(9-7-17)11-13(10-16)12-2-4-14(15)5-3-12/h2-5,13H,6-11,16H2,1H3
InChIKeyGGHWZJRFAFEESQ-UHFFFAOYSA-N
XLogP1.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
CID 82107783
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 82107835
2-(4-bromophenyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 115051728
(2S)-1-[4-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610546
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
CID 43585763
2-(4-bromophenyl)-4-methoxybutan-1-amine
CID 79441671
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine (CID 82095191) is 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is CN1CCN(CC(CN)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is GGHWZJRFAFEESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-17-6-8-18(9-7-17)11-13(10-16)12-2-4-14(15)5-3-12/h2-5,13H,6-11,16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine?
2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 82095191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).