2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine

C19H32N2 — CID 64840488

IUPAC2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
SMILESCCCC(C)CN1CC(C)(C)NCC1Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-5-9-16(2)14-21-15-19(3,4)20-13-18(21)12-17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,5,9,12-15H2,1-4H3
InChIKeyQYPOKYIUSBEICM-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.72
Rot. Bonds6

About 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine

2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine (PubChem CID 64840488) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine.

Molecular Properties

Compound Name2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
PubChem CID64840488
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
SMILESCCCC(C)CN1CC(C)(C)NCC1Cc1ccccc1
InChIInChI=1S/C19H32N2/c1-5-9-16(2)14-21-15-19(3,4)20-13-18(21)12-17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,5,9,12-15H2,1-4H3
InChIKeyQYPOKYIUSBEICM-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5-ethyl-5-methyl-1-(2-methylbutyl)piperazine
CID 64849839
2-benzyl-5,5-diethyl-1-(2-methylpropyl)piperazine
CID 64861605
2-benzyl-1,5-diethyl-5-methylpiperazine
CID 64849482
2-cyclopropyl-5,5-dimethyl-1-(2-methylpentyl)piperazine
CID 64839324
2-benzyl-1-(cyclopropylmethyl)-5-ethyl-5-methylpiperazine
CID 64849483
2-benzyl-5-ethyl-5-methyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64849486
3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
2-benzyl-5-ethyl-1-(2-methylpropyl)piperazine
CID 64842935
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
5-benzyl-2-ethyl-1-(2-methylbutyl)piperazine
CID 64849551
1-[(4-chlorophenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64837785
1-(2-methylpentyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64878230

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine?
The IUPAC name of 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine (CID 64840488) is 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine.
What is the SMILES notation for 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine?
The canonical SMILES for 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine is CCCC(C)CN1CC(C)(C)NCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine?
The InChIKey is QYPOKYIUSBEICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-9-16(2)14-21-15-19(3,4)20-13-18(21)12-17-10-7-6-8-11-17/h6-8,10-11,16,18,20H,5,9,12-15H2,1-4H3.
What are the key properties of 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine?
2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine has a molecular weight of 288.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,5-dimethyl-1-(2-methylpentyl)piperazine is sourced from PubChem (CID 64840488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).