1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid

C15H23N3O2 — CID 115529610

IUPAC1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccnc(C)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-5-15(14(19)20)6-9-18(10-7-15)11-13-4-8-16-12(2)17-13/h4,8H,3,5-7,9-11H2,1-2H3,(H,19,20)
InChIKeyFLUROESDRLFCHY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.25
Rot. Bonds5

About 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid

1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 115529610) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID115529610
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(Cc2ccnc(C)n2)CC1
InChIInChI=1S/C15H23N3O2/c1-3-5-15(14(19)20)6-9-18(10-7-15)11-13-4-8-16-12(2)17-13/h4,8H,3,5-7,9-11H2,1-2H3,(H,19,20)
InChIKeyFLUROESDRLFCHY-UHFFFAOYSA-N
XLogP2.25
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 63987109
3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529613
1-[3-(hydroxymethyl)-3-methyl-8-[(2-methylpyrimidin-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155945
1-[(4-hydroxyphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65065108
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 63126953
1-[(3-fluoro-4-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 65064522
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 105372430
1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 63127117
4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 65065061
1-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65068464
1-[(5-methyl-2-pyridinyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 81318757
1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65417525

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid (CID 115529610) is 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(Cc2ccnc(C)n2)CC1.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is FLUROESDRLFCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-5-15(14(19)20)6-9-18(10-7-15)11-13-4-8-16-12(2)17-13/h4,8H,3,5-7,9-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid?
1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 115529610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).