1-benzyl-4-heptylpiperazine

C18H30N2 — CID 22088087

IUPAC1-benzyl-4-heptylpiperazine
SMILESCCCCCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-9-12-19-13-15-20(16-14-19)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3
InChIKeyDVJARFRVWWEHTL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds8

About 1-benzyl-4-heptylpiperazine

1-benzyl-4-heptylpiperazine (PubChem CID 22088087) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-benzyl-4-heptylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-heptylpiperazine
PubChem CID22088087
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-benzyl-4-heptylpiperazine
SMILESCCCCCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-9-12-19-13-15-20(16-14-19)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3
InChIKeyDVJARFRVWWEHTL-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-[(4-butylpiperazin-1-yl)methyl]benzoic acid
CID 20795311
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183
5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
CID 139898949

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-heptylpiperazine?
The IUPAC name of 1-benzyl-4-heptylpiperazine (CID 22088087) is 1-benzyl-4-heptylpiperazine.
What is the SMILES notation for 1-benzyl-4-heptylpiperazine?
The canonical SMILES for 1-benzyl-4-heptylpiperazine is CCCCCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-heptylpiperazine?
The InChIKey is DVJARFRVWWEHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-4-5-9-12-19-13-15-20(16-14-19)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3.
What are the key properties of 1-benzyl-4-heptylpiperazine?
1-benzyl-4-heptylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-heptylpiperazine is sourced from PubChem (CID 22088087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).