4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid

C21H30FNO2 — CID 24799142

IUPAC4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
SMILESCC(C)C1CCC(N2CCC(C(=O)O)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H30FNO2/c1-15(2)16-3-9-19(10-4-16)23-13-11-21(12-14-23,20(24)25)17-5-7-18(22)8-6-17/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,24,25)
InChIKeyJXPVIVLHCWOYLH-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.46
Rot. Bonds4

About 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid

4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid (PubChem CID 24799142) has the molecular formula C21H30FNO2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
PubChem CID24799142
Molecular FormulaC21H30FNO2
Molecular Weight347.47 g/mol
Exact Mass347.23
IUPAC Name4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid
SMILESCC(C)C1CCC(N2CCC(C(=O)O)(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C21H30FNO2/c1-15(2)16-3-9-19(10-4-16)23-13-11-21(12-14-23,20(24)25)17-5-7-18(22)8-6-17/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,24,25)
InChIKeyJXPVIVLHCWOYLH-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid (CID 24799142) is 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid is CC(C)C1CCC(N2CCC(C(=O)O)(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
The InChIKey is JXPVIVLHCWOYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FNO2/c1-15(2)16-3-9-19(10-4-16)23-13-11-21(12-14-23,20(24)25)17-5-7-18(22)8-6-17/h5-8,15-16,19H,3-4,9-14H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid?
4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid has a molecular weight of 347.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 24799142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).