5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine

C19H32N2 — CID 64849755

IUPAC5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
SMILESCCCCCN1CC(Cc2ccccc2)NCC1(C)CC
InChIInChI=1S/C19H32N2/c1-4-6-10-13-21-15-18(20-16-19(21,3)5-2)14-17-11-8-7-9-12-17/h7-9,11-12,18,20H,4-6,10,13-16H2,1-3H3
InChIKeyFNNCFQMIWPEUPR-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.86
Rot. Bonds7

About 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine

5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine (PubChem CID 64849755) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine.

Molecular Properties

Compound Name5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
PubChem CID64849755
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
SMILESCCCCCN1CC(Cc2ccccc2)NCC1(C)CC
InChIInChI=1S/C19H32N2/c1-4-6-10-13-21-15-18(20-16-19(21,3)5-2)14-17-11-8-7-9-12-17/h7-9,11-12,18,20H,4-6,10,13-16H2,1-3H3
InChIKeyFNNCFQMIWPEUPR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-1-butyl-2,2-diethylpiperazine
CID 64850140
1-benzyl-2,5-diethyl-2-methylpiperazine
CID 64841591
3-benzyl-1-octylpiperazine
CID 64833102
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
5-benzyl-2,2-diethyl-1-(2-methoxyethyl)piperazine
CID 64847634
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
5-tert-butyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64842828
5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64848014
2-ethyl-1-(3-fluoropropyl)-2-methyl-5-propylpiperazine
CID 81114777
2,5-dimethyl-1-pentyl-2-phenylpiperazine
CID 64845156
3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
CID 64848789

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine?
The IUPAC name of 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine (CID 64849755) is 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine.
What is the SMILES notation for 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine?
The canonical SMILES for 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine is CCCCCN1CC(Cc2ccccc2)NCC1(C)CC.
What is the InChIKey of 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine?
The InChIKey is FNNCFQMIWPEUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-6-10-13-21-15-18(20-16-19(21,3)5-2)14-17-11-8-7-9-12-17/h7-9,11-12,18,20H,4-6,10,13-16H2,1-3H3.
What are the key properties of 5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine?
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine 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-2-ethyl-2-methyl-1-pentylpiperazine is sourced from PubChem (CID 64849755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).