2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid

C16H23NO3 — CID 62373379

IUPAC2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
SMILESCC(O)(CN1CCCCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(20,13-7-3-2-4-8-13)12-17-10-6-5-9-14(17)11-15(18)19/h2-4,7-8,14,20H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyZOERSYWIOPGDGP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid

2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid (PubChem CID 62373379) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
PubChem CID62373379
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
SMILESCC(O)(CN1CCCCC1CC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(20,13-7-3-2-4-8-13)12-17-10-6-5-9-14(17)11-15(18)19/h2-4,7-8,14,20H,5-6,9-12H2,1H3,(H,18,19)
InChIKeyZOERSYWIOPGDGP-UHFFFAOYSA-N
XLogP2.22
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
1-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]ethanone
CID 63846895
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-phenylpropan-2-ol
CID 79917568
2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
CID 83046324
1-[1-(2-hydroxy-2-methylpropyl)azepan-2-yl]propan-2-one
CID 79560522
2-[1-(2-hydroxy-2-phenylpropyl)azetidin-3-yl]acetic acid
CID 64617912
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338111
[1-[3-(ethylamino)-2-methyl-2-phenylpropyl]piperidin-2-yl]methanol
CID 62260867
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid (CID 62373379) is 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid is CC(O)(CN1CCCCC1CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid?
The InChIKey is ZOERSYWIOPGDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(20,13-7-3-2-4-8-13)12-17-10-6-5-9-14(17)11-15(18)19/h2-4,7-8,14,20H,5-6,9-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid?
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 62373379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).