N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine

C14H23N3 — CID 54794504

IUPACN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C14H23N3/c1-2-15-10-14-4-3-9-17(12-14)11-13-5-7-16-8-6-13/h5-8,14-15H,2-4,9-12H2,1H3
InChIKeyYKNIAHVCPMENSU-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.90
Rot. Bonds5

About N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine

N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine (PubChem CID 54794504) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
PubChem CID54794504
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C14H23N3/c1-2-15-10-14-4-3-9-17(12-14)11-13-5-7-16-8-6-13/h5-8,14-15H,2-4,9-12H2,1H3
InChIKeyYKNIAHVCPMENSU-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine (CID 54794504) is N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2ccncc2)C1.
What is the InChIKey of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is YKNIAHVCPMENSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-15-10-14-4-3-9-17(12-14)11-13-5-7-16-8-6-13/h5-8,14-15H,2-4,9-12H2,1H3.
What are the key properties of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine?
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54794504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).