2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

C18H26BrN3O — CID 55437296

IUPAC2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(Cc2ccccc2Br)CC1)N1CCCCC1
InChIInChI=1S/C18H26BrN3O/c19-17-7-3-2-6-16(17)14-20-10-12-21(13-11-20)15-18(23)22-8-4-1-5-9-22/h2-3,6-7H,1,4-5,8-15H2
InChIKeyREZVWZLHNYHNGA-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.58
Rot. Bonds4

About 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 55437296) has the molecular formula C18H26BrN3O and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID55437296
Molecular FormulaC18H26BrN3O
Molecular Weight380.33 g/mol
Exact Mass379.13
IUPAC Name2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCN(Cc2ccccc2Br)CC1)N1CCCCC1
InChIInChI=1S/C18H26BrN3O/c19-17-7-3-2-6-16(17)14-20-10-12-21(13-11-20)15-18(23)22-8-4-1-5-9-22/h2-3,6-7H,1,4-5,8-15H2
InChIKeyREZVWZLHNYHNGA-UHFFFAOYSA-N
XLogP2.58
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78788101
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 1126121
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1-methylcyclohexyl)methanone
CID 71179671
ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3-nitropyrazol-1-yl)ethanone
CID 19333479
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46493823
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
2-(2-bromophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112990865
1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 171151135

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 55437296) is 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCN(Cc2ccccc2Br)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is REZVWZLHNYHNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O/c19-17-7-3-2-6-16(17)14-20-10-12-21(13-11-20)15-18(23)22-8-4-1-5-9-22/h2-3,6-7H,1,4-5,8-15H2.
What are the key properties of 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 380.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 55437296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).