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

C13H21N3 — CID 114961622

IUPAC[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
SMILESCc1ccnc(N2CCC(C)C(CN)C2)c1
InChIInChI=1S/C13H21N3/c1-10-3-5-15-13(7-10)16-6-4-11(2)12(8-14)9-16/h3,5,7,11-12H,4,6,8-9,14H2,1-2H3
InChIKeyXFTQTUPGZWRCPN-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.81
Rot. Bonds2

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

[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine (PubChem CID 114961622) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
PubChem CID114961622
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine
SMILESCc1ccnc(N2CCC(C)C(CN)C2)c1
InChIInChI=1S/C13H21N3/c1-10-3-5-15-13(7-10)16-6-4-11(2)12(8-14)9-16/h3,5,7,11-12H,4,6,8-9,14H2,1-2H3
InChIKeyXFTQTUPGZWRCPN-UHFFFAOYSA-N
XLogP1.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine (CID 114961622) is [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine is Cc1ccnc(N2CCC(C)C(CN)C2)c1.
What is the InChIKey of [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
The InChIKey is XFTQTUPGZWRCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-3-5-15-13(7-10)16-6-4-11(2)12(8-14)9-16/h3,5,7,11-12H,4,6,8-9,14H2,1-2H3.
What are the key properties of [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine?
[4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-methyl-2-pyridinyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114961622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).