4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid

C20H24N2O2 — CID 72938414

IUPAC4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
SMILESCCc1ccc(CN2CCCC(c3ccc(C(=O)O)cc3)C2)nc1
InChIInChI=1S/C20H24N2O2/c1-2-15-5-10-19(21-12-15)14-22-11-3-4-18(13-22)16-6-8-17(9-7-16)20(23)24/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,24)
InChIKeyJTCZJZZZUUKYGV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.72
Rot. Bonds5

About 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid

4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid (PubChem CID 72938414) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
PubChem CID72938414
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
SMILESCCc1ccc(CN2CCCC(c3ccc(C(=O)O)cc3)C2)nc1
InChIInChI=1S/C20H24N2O2/c1-2-15-5-10-19(21-12-15)14-22-11-3-4-18(13-22)16-6-8-17(9-7-16)20(23)24/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,24)
InChIKeyJTCZJZZZUUKYGV-UHFFFAOYSA-N
XLogP3.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
4-[(3R)-1-[[2-(propylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]benzoic acid
CID 97187836
4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201982
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
4-[(3R)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201831
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
4-[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]benzoic acid
CID 56894504
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95187962

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid (CID 72938414) is 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid is CCc1ccc(CN2CCCC(c3ccc(C(=O)O)cc3)C2)nc1.
What is the InChIKey of 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid?
The InChIKey is JTCZJZZZUUKYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-15-5-10-19(21-12-15)14-22-11-3-4-18(13-22)16-6-8-17(9-7-16)20(23)24/h5-10,12,18H,2-4,11,13-14H2,1H3,(H,23,24).
What are the key properties of 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid?
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid has a molecular weight of 324.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72938414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).