1-benzyl-3-phenylpiperidine-4-carboxylic acid

C19H21NO2 — CID 3345807

IUPAC1-benzyl-3-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(22)17-11-12-20(13-15-7-3-1-4-8-15)14-18(17)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,22)
InChIKeyRHWOCIYDVKOMMJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.38
Rot. Bonds4

About 1-benzyl-3-phenylpiperidine-4-carboxylic acid

1-benzyl-3-phenylpiperidine-4-carboxylic acid (PubChem CID 3345807) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzyl-3-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-3-phenylpiperidine-4-carboxylic acid
PubChem CID3345807
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzyl-3-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H21NO2/c21-19(22)17-11-12-20(13-15-7-3-1-4-8-15)14-18(17)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,22)
InChIKeyRHWOCIYDVKOMMJ-UHFFFAOYSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid;ethane;iodoethane
CID 123682469
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237648
[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-phenylmethanone
CID 125474288
1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 73012385
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-(4-tert-butylphenyl)pyrrolidine-3-carboxylic acid
CID 75217589

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-3-phenylpiperidine-4-carboxylic acid (CID 3345807) is 1-benzyl-3-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-3-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-3-phenylpiperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-benzyl-3-phenylpiperidine-4-carboxylic acid?
The InChIKey is RHWOCIYDVKOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(22)17-11-12-20(13-15-7-3-1-4-8-15)14-18(17)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,21,22).
What are the key properties of 1-benzyl-3-phenylpiperidine-4-carboxylic acid?
1-benzyl-3-phenylpiperidine-4-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 3345807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).