4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine

C25H40FNO — CID 134486628

IUPAC4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCOC1CCC(c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)CC1
InChIInChI=1S/C25H40FNO/c1-7-14-28-21-11-8-18(9-12-21)19-10-13-22(23(26)15-19)20-16-24(2,3)27(6)25(4,5)17-20/h10,13,15,18,20-21H,7-9,11-12,14,16-17H2,1-6H3
InChIKeyKGDCISHVKAJGPK-UHFFFAOYSA-N
MW389.60 g/mol
LogP6.64
Rot. Bonds5

About 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine

4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine (PubChem CID 134486628) has the molecular formula C25H40FNO and a molecular weight of 389.60 g/mol. Its IUPAC name is 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine
PubChem CID134486628
Molecular FormulaC25H40FNO
Molecular Weight389.60 g/mol
Exact Mass389.31
IUPAC Name4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCOC1CCC(c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)CC1
InChIInChI=1S/C25H40FNO/c1-7-14-28-21-11-8-18(9-12-21)19-10-13-22(23(26)15-19)20-16-24(2,3)27(6)25(4,5)17-20/h10,13,15,18,20-21H,7-9,11-12,14,16-17H2,1-6H3
InChIKeyKGDCISHVKAJGPK-UHFFFAOYSA-N
XLogP6.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.60
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine (CID 134486628) is 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine is CCCOC1CCC(c2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)CC1.
What is the InChIKey of 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is KGDCISHVKAJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40FNO/c1-7-14-28-21-11-8-18(9-12-21)19-10-13-22(23(26)15-19)20-16-24(2,3)27(6)25(4,5)17-20/h10,13,15,18,20-21H,7-9,11-12,14,16-17H2,1-6H3.
What are the key properties of 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine?
4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 389.60 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(4-propoxycyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 134486628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).