(4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone

C18H19BrN2O — CID 1098620

IUPAC(4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19BrN2O/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyNBPNAMVUWVUGLJ-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.41
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone

(4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone (PubChem CID 1098620) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone
PubChem CID1098620
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name(4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H19BrN2O/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyNBPNAMVUWVUGLJ-UHFFFAOYSA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone (CID 1098620) is (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone is O=C(c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone?
The InChIKey is NBPNAMVUWVUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone?
(4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone has a molecular weight of 359.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 1098620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).