5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine

C19H32N2 — CID 64939061

IUPAC5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(Cc2ccccc2)CN1CC(C)(C)C
InChIInChI=1S/C19H32N2/c1-15(2)18-12-20-17(11-16-9-7-6-8-10-16)13-21(18)14-19(3,4)5/h6-10,15,17-18,20H,11-14H2,1-5H3
InChIKeyYQWKGDPTWDFHOO-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.57
Rot. Bonds4

About 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine

5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine (PubChem CID 64939061) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine
PubChem CID64939061
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(Cc2ccccc2)CN1CC(C)(C)C
InChIInChI=1S/C19H32N2/c1-15(2)18-12-20-17(11-16-9-7-6-8-10-16)13-21(18)14-19(3,4)5/h6-10,15,17-18,20H,11-14H2,1-5H3
InChIKeyYQWKGDPTWDFHOO-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
CID 104830183
5-benzyl-2-methyl-1-(4-methylpentyl)piperazine
CID 64937615
5-benzyl-1-tert-butyl-2-methylpiperazine
CID 64952465
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
1,2,5-tribenzylpiperazine
CID 64850137
5-benzyl-1-tert-butyl-2-ethylpiperazine
CID 64952265
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706
(5-benzyl-1-ethylpiperazin-2-yl)methanol
CID 82243258
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
5-benzyl-2-ethyl-1-(2-ethylbutyl)piperazine
CID 82926510

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine (CID 64939061) is 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine is CC(C)C1CNC(Cc2ccccc2)CN1CC(C)(C)C.
What is the InChIKey of 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is YQWKGDPTWDFHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)18-12-20-17(11-16-9-7-6-8-10-16)13-21(18)14-19(3,4)5/h6-10,15,17-18,20H,11-14H2,1-5H3.
What are the key properties of 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine?
5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(2,2-dimethylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64939061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).