[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

C13H22N4 — CID 55217914

IUPAC[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCC1CN(Cc2cccnc2CN)CCN1C
InChIInChI=1S/C13H22N4/c1-11-9-17(7-6-16(11)2)10-12-4-3-5-15-13(12)8-14/h3-5,11H,6-10,14H2,1-2H3
InChIKeyRQWYNDWVVCKXJB-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.68
Rot. Bonds3

About [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 55217914) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID55217914
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCC1CN(Cc2cccnc2CN)CCN1C
InChIInChI=1S/C13H22N4/c1-11-9-17(7-6-16(11)2)10-12-4-3-5-15-13(12)8-14/h3-5,11H,6-10,14H2,1-2H3
InChIKeyRQWYNDWVVCKXJB-UHFFFAOYSA-N
XLogP0.68
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine 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

[3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 102956575
[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199128
[2-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 63605164
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55133508
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895524
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194922
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
1-[1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 62893815
3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 114539469
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (CID 55217914) is [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is CC1CN(Cc2cccnc2CN)CCN1C.
What is the InChIKey of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is RQWYNDWVVCKXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-9-17(7-6-16(11)2)10-12-4-3-5-15-13(12)8-14/h3-5,11H,6-10,14H2,1-2H3.
What are the key properties of [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 55217914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).