4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

C15H22N2O2 — CID 63883219

IUPAC4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCCCC1CCN(Cc2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-3-12-5-8-17(9-6-12)11-13-4-7-16-14(10-13)15(18)19/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyCQXWLCNTEYKVMK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.79
Rot. Bonds5

About 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid

4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63883219) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63883219
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCCCC1CCN(Cc2ccnc(C(=O)O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-3-12-5-8-17(9-6-12)11-13-4-7-16-14(10-13)15(18)19/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3,(H,18,19)
InChIKeyCQXWLCNTEYKVMK-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(4-propylpiperidin-1-yl)methyl]pyridine
CID 55075690
4-[(4-tert-butylpiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63881276
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]pyridine-2-carboxylic acid
CID 63883208
[4-[(3-propylpyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 113417036
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885544
4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
4-(1,4-oxazepan-4-ylmethyl)pyridine-2-carboxylic acid
CID 63884770
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
4-[(2,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 63883370
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
5-[(4-propylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62206657

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 63883219) is 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is CCCC1CCN(Cc2ccnc(C(=O)O)c2)CC1.
What is the InChIKey of 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is CQXWLCNTEYKVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-12-5-8-17(9-6-12)11-13-4-7-16-14(10-13)15(18)19/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3,(H,18,19).
What are the key properties of 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid?
4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63883219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).