1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane

C24H36N2 — CID 164924895

IUPAC1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
SMILESCC(C)C.CC(C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H26N2.C4H10/c1-17(2)21-13-15-22(16-14-21)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-4(2)3/h3-12,17,20H,13-16H2,1-2H3;4H,1-3H3
InChIKeyDUKCLDMPEFSAEX-UHFFFAOYSA-N
MW352.57 g/mol
LogP5.46
Rot. Bonds4

About 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane

1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane (PubChem CID 164924895) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane.

Molecular Properties

Compound Name1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
PubChem CID164924895
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
SMILESCC(C)C.CC(C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H26N2.C4H10/c1-17(2)21-13-15-22(16-14-21)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-4(2)3/h3-12,17,20H,13-16H2,1-2H3;4H,1-3H3
InChIKeyDUKCLDMPEFSAEX-UHFFFAOYSA-N
XLogP5.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
1-benzhydryl-4-methylpiperazine
CID 6726
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-but-2-ynylpiperazine
CID 20795218
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
(1S,2R)-1,2-diphenyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 156874696
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
(2R)-4-benzhydryl-1,2-di(propan-2-yl)piperazine
CID 176877498
1-benzhydryl-4-methylpiperazin-4-ium chloride
CID 517299
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane?
The IUPAC name of 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane (CID 164924895) is 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane.
What is the SMILES notation for 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane?
The canonical SMILES for 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane is CC(C)C.CC(C)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane?
The InChIKey is DUKCLDMPEFSAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2.C4H10/c1-17(2)21-13-15-22(16-14-21)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-4(2)3/h3-12,17,20H,13-16H2,1-2H3;4H,1-3H3.
What are the key properties of 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane?
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane has a molecular weight of 352.57 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane is sourced from PubChem (CID 164924895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).