3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid

C15H22N2O2 — CID 65062430

IUPAC3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
SMILESCC(c1ccncc1)N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H22N2O2/c1-12(13-7-9-16-10-8-13)17-11-3-2-4-14(17)5-6-15(18)19/h7-10,12,14H,2-6,11H2,1H3,(H,18,19)
InChIKeyFZPSPKYFEVSEAZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.86
Rot. Bonds5

About 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid

3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid (PubChem CID 65062430) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
PubChem CID65062430
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid
SMILESCC(c1ccncc1)N1CCCCC1CCC(=O)O
InChIInChI=1S/C15H22N2O2/c1-12(13-7-9-16-10-8-13)17-11-3-2-4-14(17)5-6-15(18)19/h7-10,12,14H,2-6,11H2,1H3,(H,18,19)
InChIKeyFZPSPKYFEVSEAZ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-2-yl]propanoic acid
CID 65062434
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217286
3-[1-(4-phenylbutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062576
[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65063084
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
2-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]acetic acid
CID 65062930
3-[1-(4-methoxybutan-2-yl)piperidin-2-yl]propanoic acid
CID 65062585

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid (CID 65062430) is 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid is CC(c1ccncc1)N1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid?
The InChIKey is FZPSPKYFEVSEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(13-7-9-16-10-8-13)17-11-3-2-4-14(17)5-6-15(18)19/h7-10,12,14H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid?
3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-pyridin-4-ylethyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 65062430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).