1-benzyl-4-butylpiperazine;ethane

C19H36N2 — CID 90954358

IUPAC1-benzyl-4-butylpiperazine;ethane
SMILESCC.CC.CCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2.2C2H6/c1-2-3-9-16-10-12-17(13-11-16)14-15-7-5-4-6-8-15;2*1-2/h4-8H,2-3,9-14H2,1H3;2*1-2H3
InChIKeyWOUXBIYDSMAETC-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.66
Rot. Bonds5

About 1-benzyl-4-butylpiperazine;ethane

1-benzyl-4-butylpiperazine;ethane (PubChem CID 90954358) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-benzyl-4-butylpiperazine;ethane.

Molecular Properties

Compound Name1-benzyl-4-butylpiperazine;ethane
PubChem CID90954358
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-benzyl-4-butylpiperazine;ethane
SMILESCC.CC.CCCCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H24N2.2C2H6/c1-2-3-9-16-10-12-17(13-11-16)14-15-7-5-4-6-8-15;2*1-2/h4-8H,2-3,9-14H2,1H3;2*1-2H3
InChIKeyWOUXBIYDSMAETC-UHFFFAOYSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-heptylpiperazine
CID 22088087
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
4-benzyl-1-butylpiperazine-2,6-dione
CID 58822020
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183
5-(4-benzylpiperazin-1-yl)-2-methylpentan-2-ol
CID 139898949
3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 165353165
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-benzylpyrrolidine;propane
CID 143692089

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-butylpiperazine;ethane?
The IUPAC name of 1-benzyl-4-butylpiperazine;ethane (CID 90954358) is 1-benzyl-4-butylpiperazine;ethane.
What is the SMILES notation for 1-benzyl-4-butylpiperazine;ethane?
The canonical SMILES for 1-benzyl-4-butylpiperazine;ethane is CC.CC.CCCCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-butylpiperazine;ethane?
The InChIKey is WOUXBIYDSMAETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.2C2H6/c1-2-3-9-16-10-12-17(13-11-16)14-15-7-5-4-6-8-15;2*1-2/h4-8H,2-3,9-14H2,1H3;2*1-2H3.
What are the key properties of 1-benzyl-4-butylpiperazine;ethane?
1-benzyl-4-butylpiperazine;ethane has a molecular weight of 292.51 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-butylpiperazine;ethane is sourced from PubChem (CID 90954358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).