1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol

C19H22Cl2N2O — CID 1487215

IUPAC1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22Cl2N2O/c1-22-10-12-23(13-11-22)14-19(24,15-2-6-17(20)7-3-15)16-4-8-18(21)9-5-16/h2-9,24H,10-14H2,1H3
InChIKeyAYBYPRNGUZVMQV-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.48
Rot. Bonds4

About 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol

1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol (PubChem CID 1487215) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
PubChem CID1487215
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
SMILESCN1CCN(CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22Cl2N2O/c1-22-10-12-23(13-11-22)14-19(24,15-2-6-17(20)7-3-15)16-4-8-18(21)9-5-16/h2-9,24H,10-14H2,1H3
InChIKeyAYBYPRNGUZVMQV-UHFFFAOYSA-N
XLogP3.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The IUPAC name of 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol (CID 1487215) is 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol is CN1CCN(CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
The InChIKey is AYBYPRNGUZVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-22-10-12-23(13-11-22)14-19(24,15-2-6-17(20)7-3-15)16-4-8-18(21)9-5-16/h2-9,24H,10-14H2,1H3.
What are the key properties of 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol?
1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol has a molecular weight of 365.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 1487215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).