4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol

C21H28N2O — CID 70596954

IUPAC4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol
SMILESCN1CCN(CCC(C)(O)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-21(24,12-13-23-16-14-22(2)15-17-23)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,24H,12-17H2,1-2H3
InChIKeyDKUTURCQHQSMFT-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.20
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol

4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol (PubChem CID 70596954) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol
PubChem CID70596954
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol
SMILESCN1CCN(CCC(C)(O)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c1-21(24,12-13-23-16-14-22(2)15-17-23)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,24H,12-17H2,1-2H3
InChIKeyDKUTURCQHQSMFT-UHFFFAOYSA-N
XLogP3.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol (CID 70596954) is 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol is CN1CCN(CCC(C)(O)c2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
The InChIKey is DKUTURCQHQSMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-21(24,12-13-23-16-14-22(2)15-17-23)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-11,24H,12-17H2,1-2H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol?
4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol has a molecular weight of 324.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-2-(2-phenylphenyl)butan-2-ol is sourced from PubChem (CID 70596954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).