(3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid

C24H29NO2 — CID 53319971

IUPAC(3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCCc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15+/t21-/m1/s1
InChIKeyCFKUCOUIOSATKL-CPOKCXMASA-N
MW363.50 g/mol
LogP4.87
Rot. Bonds7

About (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid

(3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid (PubChem CID 53319971) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
PubChem CID53319971
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCCc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15+/t21-/m1/s1
InChIKeyCFKUCOUIOSATKL-CPOKCXMASA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Skf 89976
CID 92409
methyl (3S,4S)-4-(4-ethenylphenyl)-1-methylpiperidine-3-carboxylate
CID 10377864
methyl (3S,4S)-1-methyl-4-naphthalen-1-ylpiperidine-3-carboxylate
CID 10564927
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645
methyl (3S,4S)-1-methyl-4-(4-prop-2-enylphenyl)piperidine-3-carboxylate
CID 10802241
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
Ethyl 1-(4-biphenylylmethyl)-3-piperidinecarboxylate
CID 2838654
Ethyl 1-(2-phenylethyl)-3-piperidinecarboxylate
CID 2845965
methyl (3S,4S)-1-methyl-4-(4-phenylphenyl)piperidine-3-carboxylate
CID 10710016
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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid (CID 53319971) is (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid is CCc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The InChIKey is CFKUCOUIOSATKL-CPOKCXMASA-N. The full InChI is InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15+/t21-/m1/s1.
What are the key properties of (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
(3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid has a molecular weight of 363.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(E)-4-(2-ethylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 53319971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).