[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone

C24H22BrClN2O — CID 92769694

IUPAC[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H22BrClN2O/c25-21-10-6-19(7-11-21)23(18-4-2-1-3-5-18)27-14-16-28(17-15-27)24(29)20-8-12-22(26)13-9-20/h1-13,23H,14-17H2/t23-/m1/s1
InChIKeyBOQWCHJOYWRSJH-HSZRJFAPSA-N
MW469.81 g/mol
LogP5.65
Rot. Bonds4

About [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone

[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 92769694) has the molecular formula C24H22BrClN2O and a molecular weight of 469.81 g/mol. Its IUPAC name is [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
PubChem CID92769694
Molecular FormulaC24H22BrClN2O
Molecular Weight469.81 g/mol
Exact Mass468.06
IUPAC Name[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1
InChIInChI=1S/C24H22BrClN2O/c25-21-10-6-19(7-11-21)23(18-4-2-1-3-5-18)27-14-16-28(17-15-27)24(29)20-8-12-22(26)13-9-20/h1-13,23H,14-17H2/t23-/m1/s1
InChIKeyBOQWCHJOYWRSJH-HSZRJFAPSA-N
XLogP5.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.81
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92769109
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(6-fluoro-3-pyridinyl)methanone
CID 166403271
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 46100556
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92768612
3-[4-[(4-bromophenyl)-phenylmethyl]piperazine-1-carbonyl]benzonitrile
CID 46099707
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92769784
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92769177
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 4275208
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 92771946

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone (CID 92769694) is [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Br)cc2)CC1.
What is the InChIKey of [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is BOQWCHJOYWRSJH-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22BrClN2O/c25-21-10-6-19(7-11-21)23(18-4-2-1-3-5-18)27-14-16-28(17-15-27)24(29)20-8-12-22(26)13-9-20/h1-13,23H,14-17H2/t23-/m1/s1.
What are the key properties of [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone?
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 469.81 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 92769694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).