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

C13H22N4 — CID 63603429

IUPAC[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCN1CCN(c2ncccc2CN)CC1(C)C
InChIInChI=1S/C13H22N4/c1-13(2)10-17(8-7-16(13)3)12-11(9-14)5-4-6-15-12/h4-6H,7-10,14H2,1-3H3
InChIKeyPPPLTCNLROQUDG-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.07
Rot. Bonds2

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

[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine (PubChem CID 63603429) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
PubChem CID63603429
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
SMILESCN1CCN(c2ncccc2CN)CC1(C)C
InChIInChI=1S/C13H22N4/c1-13(2)10-17(8-7-16(13)3)12-11(9-14)5-4-6-15-12/h4-6H,7-10,14H2,1-3H3
InChIKeyPPPLTCNLROQUDG-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine (CID 63603429) is [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine is CN1CCN(c2ncccc2CN)CC1(C)C.
What is the InChIKey of [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is PPPLTCNLROQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-13(2)10-17(8-7-16(13)3)12-11(9-14)5-4-6-15-12/h4-6H,7-10,14H2,1-3H3.
What are the key properties of [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine?
[2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,4-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 63603429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).