(3R)-3-methyl-1-(4-phenylphenyl)piperazine

C17H20N2 — CID 58223220

IUPAC(3R)-3-methyl-1-(4-phenylphenyl)piperazine
SMILESC[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CCN1
InChIInChI=1S/C17H20N2/c1-14-13-19(12-11-18-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3/t14-/m1/s1
InChIKeyYTEMVIAYFUTOHP-CQSZACIVSA-N
MW252.36 g/mol
LogP3.15
Rot. Bonds2

About (3R)-3-methyl-1-(4-phenylphenyl)piperazine

(3R)-3-methyl-1-(4-phenylphenyl)piperazine (PubChem CID 58223220) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3R)-3-methyl-1-(4-phenylphenyl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(4-phenylphenyl)piperazine
PubChem CID58223220
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(3R)-3-methyl-1-(4-phenylphenyl)piperazine
SMILESC[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CCN1
InChIInChI=1S/C17H20N2/c1-14-13-19(12-11-18-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3/t14-/m1/s1
InChIKeyYTEMVIAYFUTOHP-CQSZACIVSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(4-phenylphenyl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(4-phenylphenyl)piperazine (CID 58223220) is (3R)-3-methyl-1-(4-phenylphenyl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(4-phenylphenyl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(4-phenylphenyl)piperazine is C[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-(4-phenylphenyl)piperazine?
The InChIKey is YTEMVIAYFUTOHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2/c1-14-13-19(12-11-18-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(4-phenylphenyl)piperazine?
(3R)-3-methyl-1-(4-phenylphenyl)piperazine has a molecular weight of 252.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(4-phenylphenyl)piperazine is sourced from PubChem (CID 58223220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).