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

C14H20N2O2 — CID 62215820

IUPAC3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C14H20N2O2/c17-14(18)7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11H2,(H,17,18)
InChIKeyWULRCKHBADMVMA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.30
Rot. Bonds5

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

3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid (PubChem CID 62215820) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
PubChem CID62215820
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1Cc1cccnc1
InChIInChI=1S/C14H20N2O2/c17-14(18)7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11H2,(H,17,18)
InChIKeyWULRCKHBADMVMA-UHFFFAOYSA-N
XLogP2.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-3-ylmethyl)piperidin-2-yl]ethanamine
CID 63759147
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
3-[(2-ethylpiperidin-1-yl)methyl]pyridine
CID 47021485
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
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
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
3-[1-(3-pyridin-3-ylprop-2-enoyl)piperidin-2-yl]propanoic acid
CID 76937492
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid (CID 62215820) is 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1Cc1cccnc1.
What is the InChIKey of 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid?
The InChIKey is WULRCKHBADMVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(18)7-6-13-5-1-2-9-16(13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11H2,(H,17,18).
What are the key properties of 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid?
3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridin-3-ylmethyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).