3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine

C13H22N4 — CID 114539469

IUPAC3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC1CN(Cc2cccnc2N)CC(C)N1C
InChIInChI=1S/C13H22N4/c1-10-7-17(8-11(2)16(10)3)9-12-5-4-6-15-13(12)14/h4-6,10-11H,7-9H2,1-3H3,(H2,14,15)
InChIKeyJAPWYEURAYQJLU-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.19
Rot. Bonds2

About 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine

3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 114539469) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID114539469
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCC1CN(Cc2cccnc2N)CC(C)N1C
InChIInChI=1S/C13H22N4/c1-10-7-17(8-11(2)16(10)3)9-12-5-4-6-15-13(12)14/h4-6,10-11H,7-9H2,1-3H3,(H2,14,15)
InChIKeyJAPWYEURAYQJLU-UHFFFAOYSA-N
XLogP1.19
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199128
3-[(2,6-dimethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62469656
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
3-[(2,5-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62471712
(2S)-4-[(2-amino-3-pyridinyl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 124751138
3-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 55116433
3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 83221609
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 62471359
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 55157982

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine (CID 114539469) is 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine is CC1CN(Cc2cccnc2N)CC(C)N1C.
What is the InChIKey of 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is JAPWYEURAYQJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-7-17(8-11(2)16(10)3)9-12-5-4-6-15-13(12)14/h4-6,10-11H,7-9H2,1-3H3,(H2,14,15).
What are the key properties of 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine?
3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114539469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).