4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

C27H44FNO — CID 134486645

IUPAC4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCC1CCC(c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2F)CC1
InChIInChI=1S/C27H44FNO/c1-7-8-9-10-20-11-13-21(14-12-20)24-16-15-22(17-25(24)28)23-18-26(2,3)29(30-6)27(4,5)19-23/h15-17,20-21,23H,7-14,18-19H2,1-6H3
InChIKeyOROILFWPWXADLB-UHFFFAOYSA-N
MW417.65 g/mol
LogP7.98
Rot. Bonds7

About 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134486645) has the molecular formula C27H44FNO and a molecular weight of 417.65 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
PubChem CID134486645
Molecular FormulaC27H44FNO
Molecular Weight417.65 g/mol
Exact Mass417.34
IUPAC Name4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCC1CCC(c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2F)CC1
InChIInChI=1S/C27H44FNO/c1-7-8-9-10-20-11-13-21(14-12-20)24-16-15-22(17-25(24)28)23-18-26(2,3)29(30-6)27(4,5)19-23/h15-17,20-21,23H,7-14,18-19H2,1-6H3
InChIKeyOROILFWPWXADLB-UHFFFAOYSA-N
XLogP7.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.65
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486646
[4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)phenyl] 4-butylcyclohexane-1-carboxylate
CID 134486581
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
7-fluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848525
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (CID 134486645) is 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is CCCCCC1CCC(c2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2F)CC1.
What is the InChIKey of 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is OROILFWPWXADLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44FNO/c1-7-8-9-10-20-11-13-21(14-12-20)24-16-15-22(17-25(24)28)23-18-26(2,3)29(30-6)27(4,5)19-23/h15-17,20-21,23H,7-14,18-19H2,1-6H3.
What are the key properties of 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 417.65 g/mol, XLogP of 7.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).