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

C23H26FNO2 — CID 53326407

IUPAC(3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12-/t18-/m1/s1
InChIKeyXZCPNRFCLBNHOY-BDBXIWDTSA-N
MW367.46 g/mol
LogP4.75
Rot. Bonds6

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

(3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid (PubChem CID 53326407) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is (3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid
PubChem CID53326407
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name(3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1F
InChIInChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12-/t18-/m1/s1
InChIKeyXZCPNRFCLBNHOY-BDBXIWDTSA-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-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid (CID 53326407) is (3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid is Cc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1F.
What is the InChIKey of (3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid?
The InChIKey is XZCPNRFCLBNHOY-BDBXIWDTSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24)12-7-15-25-14-6-9-18(16-25)23(26)27/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,26,27)/b20-12-/t18-/m1/s1.
What are the key properties of (3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid?
(3R)-1-[(Z)-4-(2-fluorophenyl)-4-(2-methylphenyl)but-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-(2-fluorophenyl)-4-(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 53326407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).