1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

C32H30Cl2N2O — CID 10008102

IUPAC1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C32H30Cl2N2O/c33-28-17-10-18-29(34)31(28)32(26-15-8-3-9-16-26)36-21-19-35(20-22-36)30(37)23-27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-18,27,32H,19-23H2
InChIKeyYYMGRGSETHUACY-UHFFFAOYSA-N
MW529.51 g/mol
LogP7.45
Rot. Bonds7

About 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one

1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (PubChem CID 10008102) has the molecular formula C32H30Cl2N2O and a molecular weight of 529.51 g/mol. Its IUPAC name is 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
PubChem CID10008102
Molecular FormulaC32H30Cl2N2O
Molecular Weight529.51 g/mol
Exact Mass528.17
IUPAC Name1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C32H30Cl2N2O/c33-28-17-10-18-29(34)31(28)32(26-15-8-3-9-16-26)36-21-19-35(20-22-36)30(37)23-27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-18,27,32H,19-23H2
InChIKeyYYMGRGSETHUACY-UHFFFAOYSA-N
XLogP7.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.51
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one (CID 10008102) is 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
The InChIKey is YYMGRGSETHUACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N2O/c33-28-17-10-18-29(34)31(28)32(26-15-8-3-9-16-26)36-21-19-35(20-22-36)30(37)23-27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-18,27,32H,19-23H2.
What are the key properties of 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one?
1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one has a molecular weight of 529.51 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-dichlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one is sourced from PubChem (CID 10008102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).