1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid

C22H32FNO2 — CID 24799143

IUPAC1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCC(N2CCC(C(=O)O)(c3ccccc3F)CC2)CC1
InChIInChI=1S/C22H32FNO2/c1-21(2,3)16-8-10-17(11-9-16)24-14-12-22(13-15-24,20(25)26)18-6-4-5-7-19(18)23/h4-7,16-17H,8-15H2,1-3H3,(H,25,26)
InChIKeyWSHCBCLUDUMQNW-UHFFFAOYSA-N
MW361.50 g/mol
LogP4.85
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid

1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid (PubChem CID 24799143) has the molecular formula C22H32FNO2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid
PubChem CID24799143
Molecular FormulaC22H32FNO2
Molecular Weight361.50 g/mol
Exact Mass361.24
IUPAC Name1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)C1CCC(N2CCC(C(=O)O)(c3ccccc3F)CC2)CC1
InChIInChI=1S/C22H32FNO2/c1-21(2,3)16-8-10-17(11-9-16)24-14-12-22(13-15-24,20(25)26)18-6-4-5-7-19(18)23/h4-7,16-17H,8-15H2,1-3H3,(H,25,26)
InChIKeyWSHCBCLUDUMQNW-UHFFFAOYSA-N
XLogP4.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Fluoropethidine
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Ethyl 1-hexyl-4-phenylpiperidine-4-carboxylate
CID 18957815
Ethyl 1-butyl-4-phenylpiperidine-4-carboxylate
CID 23275699

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid (CID 24799143) is 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid is CC(C)(C)C1CCC(N2CCC(C(=O)O)(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
The InChIKey is WSHCBCLUDUMQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FNO2/c1-21(2,3)16-8-10-17(11-9-16)24-14-12-22(13-15-24,20(25)26)18-6-4-5-7-19(18)23/h4-7,16-17H,8-15H2,1-3H3,(H,25,26).
What are the key properties of 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid?
1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid has a molecular weight of 361.50 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-4-(2-fluorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 24799143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).