4-(4-phenoxypiperidin-1-yl)butanoic acid

C15H21NO3 — CID 119134907

IUPAC4-(4-phenoxypiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-15(18)7-4-10-16-11-8-14(9-12-16)19-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeyWTPVNXGIJTXNCO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.39
Rot. Bonds6

About 4-(4-phenoxypiperidin-1-yl)butanoic acid

4-(4-phenoxypiperidin-1-yl)butanoic acid (PubChem CID 119134907) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-phenoxypiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-phenoxypiperidin-1-yl)butanoic acid
PubChem CID119134907
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(4-phenoxypiperidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-15(18)7-4-10-16-11-8-14(9-12-16)19-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18)
InChIKeyWTPVNXGIJTXNCO-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(4-nitrophenoxy)piperidin-1-yl]butanoic acid
CID 119139219
2-(4-phenoxypiperidin-1-yl)acetamide
CID 47395345
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
4-(azepan-1-yl)-1-(3-phenoxyazetidin-1-yl)butan-1-one
CID 90652343
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
4-[4-[(2-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoic acid;hydrochloride
CID 67831658
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
5-bromo-1-(4-phenoxypiperidin-1-yl)pentan-1-one
CID 107909079
4-(4-naphthalen-1-yloxypiperidin-1-yl)butanamide
CID 68516066
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxypiperidin-1-yl)butanoic acid?
The IUPAC name of 4-(4-phenoxypiperidin-1-yl)butanoic acid (CID 119134907) is 4-(4-phenoxypiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4-phenoxypiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-(4-phenoxypiperidin-1-yl)butanoic acid is O=C(O)CCCN1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 4-(4-phenoxypiperidin-1-yl)butanoic acid?
The InChIKey is WTPVNXGIJTXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-15(18)7-4-10-16-11-8-14(9-12-16)19-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,17,18).
What are the key properties of 4-(4-phenoxypiperidin-1-yl)butanoic acid?
4-(4-phenoxypiperidin-1-yl)butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxypiperidin-1-yl)butanoic acid is sourced from PubChem (CID 119134907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).