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

C16H21NO2 — CID 76954218

IUPAC2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C16H21NO2/c18-16(19)12-15-9-5-11-17(13-15)10-4-8-14-6-2-1-3-7-14/h1-4,6-8,15H,5,9-13H2,(H,18,19)
InChIKeyBVFSULSVHQKQSU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.89
Rot. Bonds5

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

2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid (PubChem CID 76954218) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
PubChem CID76954218
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC=Cc2ccccc2)C1
InChIInChI=1S/C16H21NO2/c18-16(19)12-15-9-5-11-17(13-15)10-4-8-14-6-2-1-3-7-14/h1-4,6-8,15H,5,9-13H2,(H,18,19)
InChIKeyBVFSULSVHQKQSU-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 129367097
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
2-[3-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126423577
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56701819
(3R)-N-phenyl-1-[(E)-3-phenylprop-2-enyl]piperidin-3-amine
CID 42463367
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid (CID 76954218) is 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(CC=Cc2ccccc2)C1.
What is the InChIKey of 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid?
The InChIKey is BVFSULSVHQKQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19)12-15-9-5-11-17(13-15)10-4-8-14-6-2-1-3-7-14/h1-4,6-8,15H,5,9-13H2,(H,18,19).
What are the key properties of 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid?
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid has a molecular weight of 259.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 76954218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).