(2S,3R)-1-methyl-2,3-diphenylpiperazine

C17H20N2 — CID 141484879

IUPAC(2S,3R)-1-methyl-2,3-diphenylpiperazine
SMILESCN1CCN[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N2/c1-19-13-12-18-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+/m1/s1
InChIKeyQYEDDCWISUKJEK-SJORKVTESA-N
MW252.36 g/mol
LogP3.00
Rot. Bonds2

About (2S,3R)-1-methyl-2,3-diphenylpiperazine

(2S,3R)-1-methyl-2,3-diphenylpiperazine (PubChem CID 141484879) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S,3R)-1-methyl-2,3-diphenylpiperazine.

Molecular Properties

Compound Name(2S,3R)-1-methyl-2,3-diphenylpiperazine
PubChem CID141484879
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(2S,3R)-1-methyl-2,3-diphenylpiperazine
SMILESCN1CCN[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H20N2/c1-19-13-12-18-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+/m1/s1
InChIKeyQYEDDCWISUKJEK-SJORKVTESA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
2,3-diphenylpiperazine;hydrochloride
CID 175072756
1,2-dichloro-3-phenylpiperazine
CID 154436047
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
1-methyl-3-phenylpiperazine;2,2,2-trifluoro-1-(1-methyl-3-phenylpiperazin-2-yl)ethanone
CID 160794599
(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine
CID 45115727
ethane;3-methyl-2-phenylpyrrolidine
CID 162762531
3,9-dimethyl-2-phenyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 57111943
(3S)-4-methyl-3-phenylpiperazin-2-one
CID 86327207
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
(4S,5S)-1-methyl-4,5-diphenylimidazolidin-2-one
CID 11831915
(3R)-3-methyl-2-phenylpiperidine
CID 155222992

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-methyl-2,3-diphenylpiperazine?
The IUPAC name of (2S,3R)-1-methyl-2,3-diphenylpiperazine (CID 141484879) is (2S,3R)-1-methyl-2,3-diphenylpiperazine.
What is the SMILES notation for (2S,3R)-1-methyl-2,3-diphenylpiperazine?
The canonical SMILES for (2S,3R)-1-methyl-2,3-diphenylpiperazine is CN1CCN[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-1-methyl-2,3-diphenylpiperazine?
The InChIKey is QYEDDCWISUKJEK-SJORKVTESA-N. The full InChI is InChI=1S/C17H20N2/c1-19-13-12-18-16(14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-1-methyl-2,3-diphenylpiperazine?
(2S,3R)-1-methyl-2,3-diphenylpiperazine has a molecular weight of 252.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-methyl-2,3-diphenylpiperazine is sourced from PubChem (CID 141484879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).