(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine

C23H32N2 — CID 176877498

IUPAC(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine
SMILESCC(C)[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(C)C
InChIInChI=1S/C23H32N2/c1-18(2)22-17-24(15-16-25(22)19(3)4)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22-23H,15-17H2,1-4H3/t22-/m0/s1
InChIKeyYNEKTSATEBHEGI-QFIPXVFZSA-N
MW336.52 g/mol
LogP4.83
Rot. Bonds5

About (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine

(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine (PubChem CID 176877498) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine
PubChem CID176877498
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine
SMILESCC(C)[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(C)C
InChIInChI=1S/C23H32N2/c1-18(2)22-17-24(15-16-25(22)19(3)4)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22-23H,15-17H2,1-4H3/t22-/m0/s1
InChIKeyYNEKTSATEBHEGI-QFIPXVFZSA-N
XLogP4.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine
CID 164925008
(2R)-4-benzhydryl-2-tert-butyl-1-propan-2-ylpiperazine
CID 176877463
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
(2S)-N-(1-acetylpiperidin-4-yl)-4-benzhydryl-N-methyl-2-propan-2-ylpiperazine-1-carboxamide
CID 70878897
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
1-benzhydryl-4-methylpiperazine
CID 6726
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
2-[4-[2-[(2S)-4-benzhydryl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]cyclooctyl]acetamide
CID 142219958
4-methyl-1,2-di(propan-2-yl)piperazine
CID 58964341
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine?
The IUPAC name of (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine (CID 176877498) is (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine.
What is the SMILES notation for (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine?
The canonical SMILES for (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine is CC(C)[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1C(C)C.
What is the InChIKey of (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine?
The InChIKey is YNEKTSATEBHEGI-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N2/c1-18(2)22-17-24(15-16-25(22)19(3)4)23(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22-23H,15-17H2,1-4H3/t22-/m0/s1.
What are the key properties of (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine?
(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine has a molecular weight of 336.52 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine is sourced from PubChem (CID 176877498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).