3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid

C15H21NO3 — CID 119134519

IUPAC3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-14(18)8-11-16-9-6-13(7-10-16)15(19)12-4-2-1-3-5-12/h1-5,13,15,19H,6-11H2,(H,17,18)
InChIKeyOQLMYIPVOIJOTE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds5

About 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid

3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid (PubChem CID 119134519) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
PubChem CID119134519
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c17-14(18)8-11-16-9-6-13(7-10-16)15(19)12-4-2-1-3-5-12/h1-5,13,15,19H,6-11H2,(H,17,18)
InChIKeyOQLMYIPVOIJOTE-UHFFFAOYSA-N
XLogP1.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
3-[[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 122028578
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422

Frequently Asked Questions

What is the IUPAC name of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid (CID 119134519) is 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid?
The InChIKey is OQLMYIPVOIJOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(18)8-11-16-9-6-13(7-10-16)15(19)12-4-2-1-3-5-12/h1-5,13,15,19H,6-11H2,(H,17,18).
What are the key properties of 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid?
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119134519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).