[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride

C14H18BrClN2O — CID 119401763

IUPAC[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H17BrN2O.ClH/c15-12-3-1-2-11(10-12)14(4-5-14)13(18)17-8-6-16-7-9-17;/h1-3,10,16H,4-9H2;1H
InChIKeyDZOLWTNEYLVJKF-UHFFFAOYSA-N
MW345.67 g/mol
LogP2.33
Rot. Bonds2

About [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride

[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119401763) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119401763
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C14H17BrN2O.ClH/c15-12-3-1-2-11(10-12)14(4-5-14)13(18)17-8-6-16-7-9-17;/h1-3,10,16H,4-9H2;1H
InChIKeyDZOLWTNEYLVJKF-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 18536151
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[1-(3-bromophenyl)cyclopropyl]-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55652942
(3R)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695146
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256916
4-(3-bromophenyl)piperidine-4-carboxamide
CID 82307410
1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119447484

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride (CID 119401763) is [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(N1CCNCC1)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is DZOLWTNEYLVJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O.ClH/c15-12-3-1-2-11(10-12)14(4-5-14)13(18)17-8-6-16-7-9-17;/h1-3,10,16H,4-9H2;1H.
What are the key properties of [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 345.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119401763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).