3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid

C17H25NO3 — CID 115496186

IUPAC3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
SMILESCC(Cc1ccc(O)cc1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C17H25NO3/c1-13(12-15-2-5-16(19)6-3-15)18-10-8-14(9-11-18)4-7-17(20)21/h2-3,5-6,13-14,19H,4,7-12H2,1H3,(H,20,21)
InChIKeyQMNBKOQNIMEXCQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.90
Rot. Bonds6

About 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid

3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid (PubChem CID 115496186) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
PubChem CID115496186
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
SMILESCC(Cc1ccc(O)cc1)N1CCC(CCC(=O)O)CC1
InChIInChI=1S/C17H25NO3/c1-13(12-15-2-5-16(19)6-3-15)18-10-8-14(9-11-18)4-7-17(20)21/h2-3,5-6,13-14,19H,4,7-12H2,1H3,(H,20,21)
InChIKeyQMNBKOQNIMEXCQ-UHFFFAOYSA-N
XLogP2.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
CID 115496100
3-[1-[1-(2,5-dihydroxyphenyl)ethyl]piperidin-4-yl]propanoic acid
CID 65062883
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143
3-[1-(1-chloroethyl)piperidin-4-yl]propanoic acid
CID 89105983
4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]phenol
CID 82976880
3-[1-[1-(2-fluorophenyl)propan-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114834840
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936
1-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxylic acid
CID 84751496
3-[1-[1-(2,6-dihydroxyphenyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 107711629
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
3-[1-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]propanoic acid
CID 106758943

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid (CID 115496186) is 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid is CC(Cc1ccc(O)cc1)N1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
The InChIKey is QMNBKOQNIMEXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(12-15-2-5-16(19)6-3-15)18-10-8-14(9-11-18)4-7-17(20)21/h2-3,5-6,13-14,19H,4,7-12H2,1H3,(H,20,21).
What are the key properties of 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid?
3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid has a molecular weight of 291.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 115496186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).