(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine

C26H30N2 — CID 164925008

IUPAC(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(c2ccccc2)c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C26H30N2/c1-21(2)28-19-18-27(20-25(28)22-12-6-3-7-13-22)26(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25-26H,18-20H2,1-2H3/t25-/m1/s1
InChIKeyBBWUCMOHLWIYPY-RUZDIDTESA-N
MW370.54 g/mol
LogP5.54
Rot. Bonds5

About (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine

(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine (PubChem CID 164925008) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine
PubChem CID164925008
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(c2ccccc2)c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C26H30N2/c1-21(2)28-19-18-27(20-25(28)22-12-6-3-7-13-22)26(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25-26H,18-20H2,1-2H3/t25-/m1/s1
InChIKeyBBWUCMOHLWIYPY-RUZDIDTESA-N
XLogP5.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine
CID 176877498
(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine
CID 176877463
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
1-ethyl-2-phenyl-4-propan-2-ylpiperazine
CID 138492479
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
1-benzhydryl-4-methylpiperazine
CID 6726
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
2-phenyl-1,4-di(propan-2-yl)pyrrolidine
CID 58778539
2-phenyl-1-propan-2-yl-1,4-diazepane
CID 82242017
1-methyl-2-phenyl-3-propan-2-ylimidazolidine
CID 10398006

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine?
The IUPAC name of (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine (CID 164925008) is (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine is CC(C)N1CCN(C(c2ccccc2)c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine?
The InChIKey is BBWUCMOHLWIYPY-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2/c1-21(2)28-19-18-27(20-25(28)22-12-6-3-7-13-22)26(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,21,25-26H,18-20H2,1-2H3/t25-/m1/s1.
What are the key properties of (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine?
(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine has a molecular weight of 370.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 164925008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).