(3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid

C23H26FNO2 — CID 53326405

IUPAC(3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCc1cc(F)ccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10-/t19-/m1/s1
InChIKeyPAMGMRKRPQPAKS-RCECTWRXSA-N
MW367.46 g/mol
LogP4.75
Rot. Bonds6

About (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid

(3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid (PubChem CID 53326405) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
PubChem CID53326405
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name(3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
SMILESCc1cc(F)ccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1
InChIInChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10-/t19-/m1/s1
InChIKeyPAMGMRKRPQPAKS-RCECTWRXSA-N
XLogP4.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid (CID 53326405) is (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid is Cc1cc(F)ccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1.
What is the InChIKey of (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
The InChIKey is PAMGMRKRPQPAKS-RCECTWRXSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-17-15-20(24)11-12-21(17)22(18-7-3-2-4-8-18)10-6-14-25-13-5-9-19(16-25)23(26)27/h2-4,7-8,10-12,15,19H,5-6,9,13-14,16H2,1H3,(H,26,27)/b22-10-/t19-/m1/s1.
What are the key properties of (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid?
(3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid has a molecular weight of 367.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(Z)-4-(4-fluoro-2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 53326405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).