N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine

C14H23N3 — CID 55256845

IUPACN-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C14H23N3/c1-12(15-2)14-6-4-8-17(11-14)10-13-5-3-7-16-9-13/h3,5,7,9,12,14-15H,4,6,8,10-11H2,1-2H3
InChIKeyZTVPJLDQNTWMHV-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine

N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine (PubChem CID 55256845) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
PubChem CID55256845
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C14H23N3/c1-12(15-2)14-6-4-8-17(11-14)10-13-5-3-7-16-9-13/h3,5,7,9,12,14-15H,4,6,8,10-11H2,1-2H3
InChIKeyZTVPJLDQNTWMHV-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine (CID 55256845) is N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine is CNC(C)C1CCCN(Cc2cccnc2)C1.
What is the InChIKey of N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
The InChIKey is ZTVPJLDQNTWMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(15-2)14-6-4-8-17(11-14)10-13-5-3-7-16-9-13/h3,5,7,9,12,14-15H,4,6,8,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine?
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 55256845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).