1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid

C17H19NO3 — CID 65072209

IUPAC1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2ccoc2)CC1
InChIInChI=1S/C17H19NO3/c19-16(20)17(15-4-2-1-3-5-15)7-9-18(10-8-17)12-14-6-11-21-13-14/h1-6,11,13H,7-10,12H2,(H,19,20)
InChIKeySHKPJERLMRYAJN-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.90
Rot. Bonds4

About 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid

1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 65072209) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID65072209
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(Cc2ccoc2)CC1
InChIInChI=1S/C17H19NO3/c19-16(20)17(15-4-2-1-3-5-15)7-9-18(10-8-17)12-14-6-11-21-13-14/h1-6,11,13H,7-10,12H2,(H,19,20)
InChIKeySHKPJERLMRYAJN-UHFFFAOYSA-N
XLogP2.90
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 56704001
1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171826
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412788
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315
1-benzyl-4-(4-chlorophenyl)piperidine-4-carbonyl chloride
CID 87592673
1-[4-(piperidin-1-ylmethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117485692
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
(3R)-1-[(2-ethylpyrimidin-5-yl)methyl]-3-phenylpyrrolidine-3-carboxylic acid
CID 124751059
(3S,4S)-1-(furan-3-ylmethyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135105447

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid (CID 65072209) is 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is SHKPJERLMRYAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-16(20)17(15-4-2-1-3-5-15)7-9-18(10-8-17)12-14-6-11-21-13-14/h1-6,11,13H,7-10,12H2,(H,19,20).
What are the key properties of 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid?
1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65072209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).