3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid

C17H23NO2 — CID 76937513

IUPAC3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c19-17(20)9-8-16-10-13-18(14-11-16)12-4-7-15-5-2-1-3-6-15/h1-7,16H,8-14H2,(H,19,20)
InChIKeyANEAESZTMOVXHX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.28
Rot. Bonds6

About 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid

3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid (PubChem CID 76937513) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
PubChem CID76937513
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c19-17(20)9-8-16-10-13-18(14-11-16)12-4-7-15-5-2-1-3-6-15/h1-7,16H,8-14H2,(H,19,20)
InChIKeyANEAESZTMOVXHX-UHFFFAOYSA-N
XLogP3.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]propanamide
CID 45219288
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
3-(1,1-dioxothiolan-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110300510
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
4-[2-(3,4-dichlorophenoxy)ethyl]-1-[(E)-3-phenylprop-2-enyl]piperidine;oxalic acid
CID 70054801
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid (CID 76937513) is 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid?
The InChIKey is ANEAESZTMOVXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)9-8-16-10-13-18(14-11-16)12-4-7-15-5-2-1-3-6-15/h1-7,16H,8-14H2,(H,19,20).
What are the key properties of 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid?
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid has a molecular weight of 273.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 76937513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).