4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride

C12H17BrClN3O — CID 24841999

IUPAC4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN3O.ClH/c13-11-3-1-10(2-4-11)9-15-5-7-16(8-6-15)12(14)17;/h1-4H,5-9H2,(H2,14,17);1H
InChIKeyIZKYPWGBADKOTN-UHFFFAOYSA-N
MW334.65 g/mol
LogP2.07
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride

4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 24841999) has the molecular formula C12H17BrClN3O and a molecular weight of 334.65 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride
PubChem CID24841999
Molecular FormulaC12H17BrClN3O
Molecular Weight334.65 g/mol
Exact Mass333.02
IUPAC Name4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrN3O.ClH/c13-11-3-1-10(2-4-11)9-15-5-7-16(8-6-15)12(14)17;/h1-4H,5-9H2,(H2,14,17);1H
InChIKeyIZKYPWGBADKOTN-UHFFFAOYSA-N
XLogP2.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
1-[4-(4-Bromobenzyl)piperazin-1-yl]-3-methylbutan-1-one
CID 773311
1-Benzyl-4-[3-(4-bromophenyl)acryloyl]piperazine
CID 1220338
(+/-)-1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidine-1-carboxamide
CID 24739889
4-Benzylpiperazine-1-carboxamide
CID 851861
1-[4-[1-(4-Bromophenyl)ethyl]piperazin-1-yl]ethanone
CID 56788562
N-{2-[4-(4-bromobenzyl)piperazin-1-yl]ethyl}-N'-methylethanediamide
CID 1598884
1-[(4-Bromophenyl)methyl]-4-methylpiperazine
CID 22197612
4-(4-Bromobenzyl)piperazine, N1-BOC protected
CID 2795519
N-(4-BromobenZyl)-4-(3,5-difluorobenZyl)piperaZine-1-carboxamide
CID 168499425
3-Benzyl-1-[(4-bromophenyl)methyl]-1-[2-(dimethylamino)ethyl]urea
CID 47071686

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride (CID 24841999) is 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride is Cl.NC(=O)N1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is IZKYPWGBADKOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O.ClH/c13-11-3-1-10(2-4-11)9-15-5-7-16(8-6-15)12(14)17;/h1-4H,5-9H2,(H2,14,17);1H.
What are the key properties of 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride?
4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 334.65 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 24841999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).