(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine

C17H20N2 — CID 15696220

IUPAC(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
SMILESC[C@H]1CN[C@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C17H20N2/c1-13-12-18-16(14-8-4-2-5-9-14)17(19-13)15-10-6-3-7-11-15/h2-11,13,16-19H,12H2,1H3/t13-,16+,17+/m0/s1
InChIKeyTUONJFUJVIHYLQ-IAOVAPTHSA-N
MW252.36 g/mol
LogP3.05
Rot. Bonds2

About (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine

(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine (PubChem CID 15696220) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine.

Molecular Properties

Compound Name(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
PubChem CID15696220
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
SMILESC[C@H]1CN[C@H](c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C17H20N2/c1-13-12-18-16(14-8-4-2-5-9-14)17(19-13)15-10-6-3-7-11-15/h2-11,13,16-19H,12H2,1H3/t13-,16+,17+/m0/s1
InChIKeyTUONJFUJVIHYLQ-IAOVAPTHSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,6S)-6-methyl-2-phenylpiperidin-3-amine
CID 21069315
2,3-diphenylpiperazine;hydrochloride
CID 175072756
(2S,3S)-3-fluoro-2-phenylazetidine
CID 118903296
2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
CID 66220159
2-phenyl-3-propan-2-ylazetidine
CID 66350091
(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
CID 134970046
6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 3834468
5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide
CID 66219910
(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 1426755
(4S,5S,14S,15S,24S,25S)-4,5,14,15,24,25-hexakis-phenyl-3,6,13,16,23,26-hexazatetracyclo[26.2.2.28,11.218,21]hexatriaconta-1(31),8,10,18(34),19,21(33),28(32),29,35-nonaene
CID 101169433
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
ethane;(2S)-2-phenylaziridine
CID 145185749

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine?
The IUPAC name of (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine (CID 15696220) is (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine.
What is the SMILES notation for (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine?
The canonical SMILES for (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine is C[C@H]1CN[C@H](c2ccccc2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine?
The InChIKey is TUONJFUJVIHYLQ-IAOVAPTHSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-12-18-16(14-8-4-2-5-9-14)17(19-13)15-10-6-3-7-11-15/h2-11,13,16-19H,12H2,1H3/t13-,16+,17+/m0/s1.
What are the key properties of (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine?
(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine has a molecular weight of 252.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-methyl-2,3-diphenylpiperazine is sourced from PubChem (CID 15696220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).