2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

C22H30N2O — CID 23723560

IUPAC2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1CCO
InChIInChI=1S/C22H30N2O/c1-18(2)24-14-13-23(17-22(24)12-15-25)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22,25H,12-17H2,1-2H3
InChIKeyMJBSMLXWNYFFCG-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.63
Rot. Bonds6

About 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol

2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (PubChem CID 23723560) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
PubChem CID23723560
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1CCO
InChIInChI=1S/C22H30N2O/c1-18(2)24-14-13-23(17-22(24)12-15-25)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22,25H,12-17H2,1-2H3
InChIKeyMJBSMLXWNYFFCG-UHFFFAOYSA-N
XLogP3.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol (CID 23723560) is 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is CC(C)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1CCO.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
The InChIKey is MJBSMLXWNYFFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18(2)24-14-13-23(17-22(24)12-15-25)16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22,25H,12-17H2,1-2H3.
What are the key properties of 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol?
2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol has a molecular weight of 338.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol is sourced from PubChem (CID 23723560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).