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

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

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

Launch Full Analysis

Related Compounds

N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54794583
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62592344
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793865

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).