3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid

C14H20N2O2 — CID 104823824

IUPAC3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
SMILESCc1ccc(C(CC(=O)O)N2CCCCC2)cn1
InChIInChI=1S/C14H20N2O2/c1-11-5-6-12(10-15-11)13(9-14(17)18)16-7-3-2-4-8-16/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyFPNRUSWMTFAHPG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.39
Rot. Bonds4

About 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid

3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid (PubChem CID 104823824) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
PubChem CID104823824
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid
SMILESCc1ccc(C(CC(=O)O)N2CCCCC2)cn1
InChIInChI=1S/C14H20N2O2/c1-11-5-6-12(10-15-11)13(9-14(17)18)16-7-3-2-4-8-16/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyFPNRUSWMTFAHPG-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 113457077
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
3-(azepan-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 64528301
(3R)-3-(4-fluorophenyl)-3-piperidin-1-ylpropanoic acid
CID 94690411
3-(azepan-1-yl)-3-(3,4-dichlorophenyl)propanoic acid
CID 64526745
3-(azepan-1-yl)-3-(4-bromo-3-methylphenyl)propanoic acid
CID 66480513
3-cyclopropyl-3-(6-methyl-3-pyridinyl)propanoic acid
CID 83819863
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
3-(4-cyclopropylphenyl)-3-piperidin-1-ylpropanoic acid
CID 79978018
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
3-(azepan-1-yl)-3-(5-methylthiophen-2-yl)propanoic acid
CID 64527523
3-(azepan-1-yl)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117993

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid (CID 104823824) is 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid is Cc1ccc(C(CC(=O)O)N2CCCCC2)cn1.
What is the InChIKey of 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid?
The InChIKey is FPNRUSWMTFAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-6-12(10-15-11)13(9-14(17)18)16-7-3-2-4-8-16/h5-6,10,13H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid?
3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3-pyridinyl)-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 104823824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).