2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine

C13H21N3 — CID 63759147

IUPAC2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C13H21N3/c14-7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11,14H2
InChIKeyMZGSSKDKZXXLQK-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine

2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine (PubChem CID 63759147) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
PubChem CID63759147
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C13H21N3/c14-7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11,14H2
InChIKeyMZGSSKDKZXXLQK-UHFFFAOYSA-N
XLogP1.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
CID 62215820
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]acetonitrile
CID 117028174
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
[(2R,3R)-2-methyl-1-(pyridin-3-ylmethyl)azepan-3-yl]methanamine
CID 96597473
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methanamine
CID 63262844
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580373

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine (CID 63759147) is 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine is NCCC1CCCCN1Cc1cccnc1.
What is the InChIKey of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine?
The InChIKey is MZGSSKDKZXXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11,14H2.
What are the key properties of 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine?
2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63759147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).