(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine

C24H34N2 — CID 176877463

IUPAC(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(c2ccccc2)c2ccccc2)C[C@H]1C(C)(C)C
InChIInChI=1S/C24H34N2/c1-19(2)26-17-16-25(18-22(26)24(3,4)5)23(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22-23H,16-18H2,1-5H3/t22-/m0/s1
InChIKeySCHDGMJPWIWCEF-QFIPXVFZSA-N
MW350.55 g/mol
LogP5.22
Rot. Bonds4

About (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine

(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine (PubChem CID 176877463) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine
PubChem CID176877463
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C(c2ccccc2)c2ccccc2)C[C@H]1C(C)(C)C
InChIInChI=1S/C24H34N2/c1-19(2)26-17-16-25(18-22(26)24(3,4)5)23(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22-23H,16-18H2,1-5H3/t22-/m0/s1
InChIKeySCHDGMJPWIWCEF-QFIPXVFZSA-N
XLogP5.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.22
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
(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine
CID 164925008
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
(2S)-2-tert-butyl-4-[(4-tert-butylphenyl)-phenylmethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 71040753
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
4-[amino(phenyl)methyl]-2-tert-butylpiperazine-1-carboxylic acid
CID 175741805
1-benzhydryl-4-methylpiperazine
CID 6726
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[(4-hydroxyphenyl)-phenylmethyl]piperazin-1-yl]ethanone
CID 142220141
2-(1-acetylpiperidin-4-yl)-1-[2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 20794644
(2S)-N-(1-acetylpiperidin-4-yl)-2-tert-butyl-4-[phenyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 10030706
2-[1-[amino(hydroxy)methyl]piperidin-4-yl]-1-[2-tert-butyl-4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanone
CID 142220252

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine?
The IUPAC name of (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine (CID 176877463) is (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine?
The canonical SMILES for (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine is CC(C)N1CCN(C(c2ccccc2)c2ccccc2)C[C@H]1C(C)(C)C.
What is the InChIKey of (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine?
The InChIKey is SCHDGMJPWIWCEF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H34N2/c1-19(2)26-17-16-25(18-22(26)24(3,4)5)23(20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,19,22-23H,16-18H2,1-5H3/t22-/m0/s1.
What are the key properties of (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine?
(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine has a molecular weight of 350.55 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 176877463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).