1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

C15H24BrN3 — CID 116909752

IUPAC1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(C)C(CCN1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-18(2)15(13-3-5-14(16)6-4-13)7-10-19-11-8-17-9-12-19/h3-6,15,17H,7-12H2,1-2H3
InChIKeyDDFDLFXKUJBEJC-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 116909752) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
PubChem CID116909752
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCN(C)C(CCN1CCNCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrN3/c1-18(2)15(13-3-5-14(16)6-4-13)7-10-19-11-8-17-9-12-19/h3-6,15,17H,7-12H2,1-2H3
InChIKeyDDFDLFXKUJBEJC-UHFFFAOYSA-N
XLogP2.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-chloro-N,N-dimethylpropan-1-amine
CID 116907526
1-[2-(4-bromophenyl)propyl]-1,4-diazepane
CID 82094588
4-bromo-N-methyl-N-(piperazin-1-ylmethyl)aniline
CID 115229855
1-(4-bromophenyl)-N,N-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 116913981
1-(4-fluorophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 63267366
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954778
1-(4-ethylphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954950
1-[(4-bromophenyl)sulfanylmethyl]piperazine
CID 117033897
1-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62617616
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine (CID 116909752) is 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine is CN(C)C(CCN1CCNCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is DDFDLFXKUJBEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(2)15(13-3-5-14(16)6-4-13)7-10-19-11-8-17-9-12-19/h3-6,15,17H,7-12H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine?
1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116909752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).