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

C16H24N2O2 — CID 81046611

IUPAC3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(C)c2ccncc2)C1
InChIInChI=1S/C16H24N2O2/c1-12(10-16(19)20)15-4-3-9-18(11-15)13(2)14-5-7-17-8-6-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyZQCQSFCCYPURPF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.97
Rot. Bonds5

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

3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid (PubChem CID 81046611) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
PubChem CID81046611
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(C)c2ccncc2)C1
InChIInChI=1S/C16H24N2O2/c1-12(10-16(19)20)15-4-3-9-18(11-15)13(2)14-5-7-17-8-6-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyZQCQSFCCYPURPF-UHFFFAOYSA-N
XLogP2.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81048429
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
3-[1-[1-(2-chlorophenyl)ethyl]piperidin-3-yl]butanoic acid
CID 81047875
3-[1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-yl]butanoic acid
CID 81046465
2-[1-(1-pyridin-4-ylethyl)azetidin-3-yl]propanoic acid
CID 116684728
3-[1-(2,6-dimethylheptan-4-yl)piperidin-3-yl]butanoic acid
CID 114867007
3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid
CID 81046243
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210
3-(1-nonan-2-ylpiperidin-3-yl)butanoic acid
CID 81047869
3-[1-(4-methoxy-4-methylpentan-2-yl)piperidin-3-yl]butanoic acid
CID 81046314
3-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]butanoic acid
CID 81046095
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid (CID 81046611) is 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(C)c2ccncc2)C1.
What is the InChIKey of 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid?
The InChIKey is ZQCQSFCCYPURPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(10-16(19)20)15-4-3-9-18(11-15)13(2)14-5-7-17-8-6-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid?
3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.97, 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-3-yl]butanoic acid is sourced from PubChem (CID 81046611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).