1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid

C22H27NO2 — CID 122035719

IUPAC1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c24-22(25)21-11-13-23(14-12-21)17-20(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,25)
InChIKeyWIZFWNUXIWBMOS-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.88
Rot. Bonds7

About 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid

1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid (PubChem CID 122035719) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid
PubChem CID122035719
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c24-22(25)21-11-13-23(14-12-21)17-20(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,25)
InChIKeyWIZFWNUXIWBMOS-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Skf 89976
CID 92409
1-(2-Phenylacetyl)piperidine-4-carboxylic acid
CID 280747
1-(3-Phenylpropanoyl)piperidine-4-carboxylic acid
CID 2813193
Ethyl 1-(3-phenyl-2-propen-1-yl)-4-piperidinecarboxylate
CID 782814
4-Ppbp maleate
CID 11682970
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CID 6917797
(R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid
CID 9797818
[1-(4,4-Diphenyl-but-3-enyl)-pyrrolidin-3-yl]-acetic acid
CID 9927708
1-(5',11'-Dihydrospiro[cyclopentane-1,10'-dibenzo[a,d]cyclohepten]-3-yl)-4-methyl-4-piperidinecarboxylic acid
CID 49836300
ReN 1869
CID 9799039
6-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 2946760

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid (CID 122035719) is 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid?
The InChIKey is WIZFWNUXIWBMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-22(25)21-11-13-23(14-12-21)17-20(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2,(H,24,25).
What are the key properties of 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid?
1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid has a molecular weight of 337.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3-phenylpropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122035719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).