4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine

C21H32FNO — CID 58771936

IUPAC4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine
SMILESCCCC1CCC(N2CCC(c3cc(F)ccc3OC)CC2)CC1
InChIInChI=1S/C21H32FNO/c1-3-4-16-5-8-19(9-6-16)23-13-11-17(12-14-23)20-15-18(22)7-10-21(20)24-2/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3
InChIKeyFVMPWPNDGRGDFL-UHFFFAOYSA-N
MW333.49 g/mol
LogP5.37
Rot. Bonds5

About 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine

4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine (PubChem CID 58771936) has the molecular formula C21H32FNO and a molecular weight of 333.49 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine
PubChem CID58771936
Molecular FormulaC21H32FNO
Molecular Weight333.49 g/mol
Exact Mass333.25
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine
SMILESCCCC1CCC(N2CCC(c3cc(F)ccc3OC)CC2)CC1
InChIInChI=1S/C21H32FNO/c1-3-4-16-5-8-19(9-6-16)23-13-11-17(12-14-23)20-15-18(22)7-10-21(20)24-2/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3
InChIKeyFVMPWPNDGRGDFL-UHFFFAOYSA-N
XLogP5.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine (CID 58771936) is 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine is CCCC1CCC(N2CCC(c3cc(F)ccc3OC)CC2)CC1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine?
The InChIKey is FVMPWPNDGRGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO/c1-3-4-16-5-8-19(9-6-16)23-13-11-17(12-14-23)20-15-18(22)7-10-21(20)24-2/h7,10,15-17,19H,3-6,8-9,11-14H2,1-2H3.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine?
4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine has a molecular weight of 333.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-1-(4-propylcyclohexyl)piperidine is sourced from PubChem (CID 58771936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).