5-benzyl-1-butyl-2,2-diethylpiperazine

C19H32N2 — CID 64850140

IUPAC5-benzyl-1-butyl-2,2-diethylpiperazine
SMILESCCCCN1CC(Cc2ccccc2)NCC1(CC)CC
InChIInChI=1S/C19H32N2/c1-4-7-13-21-15-18(14-17-11-9-8-10-12-17)20-16-19(21,5-2)6-3/h8-12,18,20H,4-7,13-16H2,1-3H3
InChIKeyZHSTTZFOCITLGE-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.86
Rot. Bonds7

About 5-benzyl-1-butyl-2,2-diethylpiperazine

5-benzyl-1-butyl-2,2-diethylpiperazine (PubChem CID 64850140) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-benzyl-1-butyl-2,2-diethylpiperazine.

Molecular Properties

Compound Name5-benzyl-1-butyl-2,2-diethylpiperazine
PubChem CID64850140
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-benzyl-1-butyl-2,2-diethylpiperazine
SMILESCCCCN1CC(Cc2ccccc2)NCC1(CC)CC
InChIInChI=1S/C19H32N2/c1-4-7-13-21-15-18(14-17-11-9-8-10-12-17)20-16-19(21,5-2)6-3/h8-12,18,20H,4-7,13-16H2,1-3H3
InChIKeyZHSTTZFOCITLGE-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-2,2-diethyl-1-(2-methoxyethyl)piperazine
CID 64847634
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
(4S)-4-benzyl-1-butylimidazolidin-2-one
CID 102070726
3-benzyl-1-octylpiperazine
CID 64833102
3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
CID 64848789
5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64848014
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984
1-butyl-2-methyl-5-(2-methylpropyl)-2-phenylpiperazine
CID 64847619
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
3-benzyl-1-hexan-2-ylpiperazine
CID 64954753

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-butyl-2,2-diethylpiperazine?
The IUPAC name of 5-benzyl-1-butyl-2,2-diethylpiperazine (CID 64850140) is 5-benzyl-1-butyl-2,2-diethylpiperazine.
What is the SMILES notation for 5-benzyl-1-butyl-2,2-diethylpiperazine?
The canonical SMILES for 5-benzyl-1-butyl-2,2-diethylpiperazine is CCCCN1CC(Cc2ccccc2)NCC1(CC)CC.
What is the InChIKey of 5-benzyl-1-butyl-2,2-diethylpiperazine?
The InChIKey is ZHSTTZFOCITLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-7-13-21-15-18(14-17-11-9-8-10-12-17)20-16-19(21,5-2)6-3/h8-12,18,20H,4-7,13-16H2,1-3H3.
What are the key properties of 5-benzyl-1-butyl-2,2-diethylpiperazine?
5-benzyl-1-butyl-2,2-diethylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-butyl-2,2-diethylpiperazine is sourced from PubChem (CID 64850140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).