2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine

C13H22N4 — CID 134406832

IUPAC2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
SMILESCc1ccc(CN2CCN(CCN)CC2)cn1
InChIInChI=1S/C13H22N4/c1-12-2-3-13(10-15-12)11-17-8-6-16(5-4-14)7-9-17/h2-3,10H,4-9,11,14H2,1H3
InChIKeyNXELXDYPBORKRB-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.47
Rot. Bonds4

About 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine

2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine (PubChem CID 134406832) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
PubChem CID134406832
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine
SMILESCc1ccc(CN2CCN(CCN)CC2)cn1
InChIInChI=1S/C13H22N4/c1-12-2-3-13(10-15-12)11-17-8-6-16(5-4-14)7-9-17/h2-3,10H,4-9,11,14H2,1H3
InChIKeyNXELXDYPBORKRB-UHFFFAOYSA-N
XLogP0.47
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4,4-difluoropiperidin-1-yl)methyl]-2-methylpyridine
CID 143579558
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one
CID 62995500
5-ethyl-1-[(6-methyl-3-pyridinyl)methyl]-1,4-diazepane
CID 62993018
1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 104822700
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
5-[(2,5-dimethylpyrrol-1-yl)methyl]-2-methylpyridine
CID 62993324
1-[(6-methyl-3-pyridinyl)methyl]-4-nitrosoazepane
CID 134406086
1-[(6-methyl-3-pyridinyl)methyl]-3-propan-2-ylpiperazine
CID 64952393
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-4-one
CID 62995501
[5-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine (CID 134406832) is 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine is Cc1ccc(CN2CCN(CCN)CC2)cn1.
What is the InChIKey of 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine?
The InChIKey is NXELXDYPBORKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-12-2-3-13(10-15-12)11-17-8-6-16(5-4-14)7-9-17/h2-3,10H,4-9,11,14H2,1H3.
What are the key properties of 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine?
2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine has a molecular weight of 234.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 134406832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).