1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid

C16H24N2O3 — CID 63987109

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cccc(OC)n2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-7-16(15(19)20)8-10-18(11-9-16)12-13-5-4-6-14(17-13)21-2/h4-6H,3,7-12H2,1-2H3,(H,19,20)
InChIKeySCZQFWPORGHMBN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds6

About 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid

1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 63987109) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID63987109
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2cccc(OC)n2)CC1
InChIInChI=1S/C16H24N2O3/c1-3-7-16(15(19)20)8-10-18(11-9-16)12-13-5-4-6-14(17-13)21-2/h4-6H,3,7-12H2,1-2H3,(H,19,20)
InChIKeySCZQFWPORGHMBN-UHFFFAOYSA-N
XLogP2.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-2-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979080
1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 115529610
2-methoxy-6-[(4-methoxy-4-phenylpiperidin-1-yl)methyl]pyridine
CID 163317237
2-methoxy-6-(piperidin-1-ylmethyl)pyridine
CID 70652671
1-benzyl-4-[(6-methoxy-2-pyridinyl)methyl]piperazine
CID 172891684
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
CID 124797033
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
4-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 63992936
1-[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-4-yl]ethanamine
CID 63992335

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid (CID 63987109) is 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2cccc(OC)n2)CC1.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is SCZQFWPORGHMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-7-16(15(19)20)8-10-18(11-9-16)12-13-5-4-6-14(17-13)21-2/h4-6H,3,7-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid?
1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63987109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).