[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone

C19H27BrN2O — CID 71179671

IUPAC[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCN(Cc3ccccc3Br)CC2)CCCCC1
InChIInChI=1S/C19H27BrN2O/c1-19(9-5-2-6-10-19)18(23)22-13-11-21(12-14-22)15-16-7-3-4-8-17(16)20/h3-4,7-8H,2,5-6,9-15H2,1H3
InChIKeyYOLHKUSIABTOLQ-UHFFFAOYSA-N
MW379.34 g/mol
LogP4.06
Rot. Bonds3

About [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone

[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone (PubChem CID 71179671) has the molecular formula C19H27BrN2O and a molecular weight of 379.34 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone
PubChem CID71179671
Molecular FormulaC19H27BrN2O
Molecular Weight379.34 g/mol
Exact Mass378.13
IUPAC Name[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCN(Cc3ccccc3Br)CC2)CCCCC1
InChIInChI=1S/C19H27BrN2O/c1-19(9-5-2-6-10-19)18(23)22-13-11-21(12-14-22)15-16-7-3-4-8-17(16)20/h3-4,7-8H,2,5-6,9-15H2,1H3
InChIKeyYOLHKUSIABTOLQ-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55437296
1-[(2-bromophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147916
[4-(2-bromoethyl)piperazin-1-yl]-(1-methylcyclopentyl)methanone
CID 80660920
4-[(2-bromophenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 19291665
(1-methylcyclopentyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134039040
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1112858
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4,5-dibromo-1H-pyrazol-3-yl)methanone
CID 19333492
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62312271
1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 1126121
1-[(2-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazine;oxalic acid
CID 17367315
1-[4-[(3-bromo-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 82986155

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone (CID 71179671) is [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone is CC1(C(=O)N2CCN(Cc3ccccc3Br)CC2)CCCCC1.
What is the InChIKey of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is YOLHKUSIABTOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O/c1-19(9-5-2-6-10-19)18(23)22-13-11-21(12-14-22)15-16-7-3-4-8-17(16)20/h3-4,7-8H,2,5-6,9-15H2,1H3.
What are the key properties of [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone?
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 379.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 71179671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).