1-benzyl-4-methylpiperazine;methanamine

C13H23N3 — CID 174694163

IUPAC1-benzyl-4-methylpiperazine;methanamine
SMILESCN.CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H18N2.CH5N/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-2/h2-6H,7-11H2,1H3;2H2,1H3
InChIKeyPDBFSTBANYQMOA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.01
Rot. Bonds2

About 1-benzyl-4-methylpiperazine;methanamine

1-benzyl-4-methylpiperazine;methanamine (PubChem CID 174694163) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine;methanamine.

Molecular Properties

Compound Name1-benzyl-4-methylpiperazine;methanamine
PubChem CID174694163
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-benzyl-4-methylpiperazine;methanamine
SMILESCN.CN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H18N2.CH5N/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-2/h2-6H,7-11H2,1H3;2H2,1H3
InChIKeyPDBFSTBANYQMOA-UHFFFAOYSA-N
XLogP1.01
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methylpiperazine;formic acid
CID 54605116
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-benzyl-11-methyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane
CID 12011735
bis(1-benzyl-4-methylpiperazine);ethane;methanol;methoxyethane;propane
CID 162104862
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-benzyl-4-butylpiperazine;ethane
CID 90954358
1-benzylpyrrolidine;propane
CID 143692089

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine;methanamine?
The IUPAC name of 1-benzyl-4-methylpiperazine;methanamine (CID 174694163) is 1-benzyl-4-methylpiperazine;methanamine.
What is the SMILES notation for 1-benzyl-4-methylpiperazine;methanamine?
The canonical SMILES for 1-benzyl-4-methylpiperazine;methanamine is CN.CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methylpiperazine;methanamine?
The InChIKey is PDBFSTBANYQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.CH5N/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-2/h2-6H,7-11H2,1H3;2H2,1H3.
What are the key properties of 1-benzyl-4-methylpiperazine;methanamine?
1-benzyl-4-methylpiperazine;methanamine has a molecular weight of 221.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperazine;methanamine is sourced from PubChem (CID 174694163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).