(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone

C25H24Cl2N2O — CID 46100045

IUPAC(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2ccccc2)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C25H24Cl2N2O/c1-18-10-12-20(13-11-18)24(19-6-3-2-4-7-19)28-14-16-29(17-15-28)25(30)23-21(26)8-5-9-22(23)27/h2-13,24H,14-17H2,1H3
InChIKeyLKZZTISAMYFGRG-UHFFFAOYSA-N
MW439.39 g/mol
LogP5.85
Rot. Bonds4

About (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone

(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone (PubChem CID 46100045) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
PubChem CID46100045
Molecular FormulaC25H24Cl2N2O
Molecular Weight439.39 g/mol
Exact Mass438.13
IUPAC Name(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2ccccc2)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C25H24Cl2N2O/c1-18-10-12-20(13-11-18)24(19-6-3-2-4-7-19)28-14-16-29(17-15-28)25(30)23-21(26)8-5-9-22(23)27/h2-13,24H,14-17H2,1H3
InChIKeyLKZZTISAMYFGRG-UHFFFAOYSA-N
XLogP5.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
2-(4-benzhydrylpiperazin-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 44902567
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 92771946
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 17233989
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349807

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone (CID 46100045) is (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone is Cc1ccc(C(c2ccccc2)N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
The InChIKey is LKZZTISAMYFGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c1-18-10-12-20(13-11-18)24(19-6-3-2-4-7-19)28-14-16-29(17-15-28)25(30)23-21(26)8-5-9-22(23)27/h2-13,24H,14-17H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone has a molecular weight of 439.39 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46100045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).