2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium

C14H20N3+ — CID 23912288

IUPAC2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium
SMILESC#[N+]CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N3/c1-15-7-8-16-9-11-17(12-10-16)13-14-5-3-2-4-6-14/h1-6H,7-13H2/q+1
InChIKeyLCIPNBVEHSOORI-UHFFFAOYSA-N
MW230.34 g/mol
LogP1.77
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium

2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium (PubChem CID 23912288) has the molecular formula C14H20N3+ and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium
PubChem CID23912288
Molecular FormulaC14H20N3+
Molecular Weight230.34 g/mol
Exact Mass230.17
IUPAC Name2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium
SMILESC#[N+]CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N3/c1-15-7-8-16-9-11-17(12-10-16)13-14-5-3-2-4-6-14/h1-6H,7-13H2/q+1
InChIKeyLCIPNBVEHSOORI-UHFFFAOYSA-N
XLogP1.77
TPSA10.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
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dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-methylpiperazine;methanamine
CID 174694163
1-benzyl-4-butylpiperazine;ethane
CID 90954358
3-(4-benzyl-1,4-diazepan-1-yl)propanenitrile
CID 131217924
1-benzyl-4-heptylpiperazine
CID 22088087
1-benzylazepane
CID 10954328
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 18430919
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium (CID 23912288) is 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium is C#[N+]CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium?
The InChIKey is LCIPNBVEHSOORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N3/c1-15-7-8-16-9-11-17(12-10-16)13-14-5-3-2-4-6-14/h1-6H,7-13H2/q+1.
What are the key properties of 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium?
2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium has a molecular weight of 230.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium is sourced from PubChem (CID 23912288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).