(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine

C18H22N2 — CID 86680328

IUPAC(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
SMILESC[C@@H]1CN(Cc2ccccc2)[C@@H](c2ccccc2)CN1
InChIInChI=1S/C18H22N2/c1-15-13-20(14-16-8-4-2-5-9-16)18(12-19-15)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3/t15-,18-/m1/s1
InChIKeyKSKHEPUDBDIUFW-CRAIPNDOSA-N
MW266.39 g/mol
LogP3.22
Rot. Bonds3

About (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine

(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine (PubChem CID 86680328) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
PubChem CID86680328
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
SMILESC[C@@H]1CN(Cc2ccccc2)[C@@H](c2ccccc2)CN1
InChIInChI=1S/C18H22N2/c1-15-13-20(14-16-8-4-2-5-9-16)18(12-19-15)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3/t15-,18-/m1/s1
InChIKeyKSKHEPUDBDIUFW-CRAIPNDOSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-benzyl-5-ethyl-2-phenylpiperazine
CID 64841572
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
CID 107901428
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine?
The IUPAC name of (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine (CID 86680328) is (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine.
What is the SMILES notation for (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine?
The canonical SMILES for (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine is C[C@@H]1CN(Cc2ccccc2)[C@@H](c2ccccc2)CN1.
What is the InChIKey of (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine?
The InChIKey is KSKHEPUDBDIUFW-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-13-20(14-16-8-4-2-5-9-16)18(12-19-15)17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3/t15-,18-/m1/s1.
What are the key properties of (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine?
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine has a molecular weight of 266.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 86680328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).