4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

C25H39F2NO3 — CID 134486565

IUPAC4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCOC1CCC(C(F)(F)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1
InChIInChI=1S/C25H39F2NO3/c1-7-30-21-14-10-20(11-15-21)25(26,27)31-22-12-8-18(9-13-22)19-16-23(2,3)28(29-6)24(4,5)17-19/h8-9,12-13,19-21H,7,10-11,14-17H2,1-6H3
InChIKeyNCZGINMOIJPSIL-UHFFFAOYSA-N
MW439.59 g/mol
LogP6.55
Rot. Bonds7

About 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine

4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 134486565) has the molecular formula C25H39F2NO3 and a molecular weight of 439.59 g/mol. Its IUPAC name is 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
PubChem CID134486565
Molecular FormulaC25H39F2NO3
Molecular Weight439.59 g/mol
Exact Mass439.29
IUPAC Name4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCCOC1CCC(C(F)(F)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1
InChIInChI=1S/C25H39F2NO3/c1-7-30-21-14-10-20(11-15-21)25(26,27)31-22-12-8-18(9-13-22)19-16-23(2,3)28(29-6)24(4,5)17-19/h8-9,12-13,19-21H,7,10-11,14-17H2,1-6H3
InChIKeyNCZGINMOIJPSIL-UHFFFAOYSA-N
XLogP6.55
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.59
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine (CID 134486565) is 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is CCOC1CCC(C(F)(F)Oc2ccc(C3CC(C)(C)N(OC)C(C)(C)C3)cc2)CC1.
What is the InChIKey of 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is NCZGINMOIJPSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39F2NO3/c1-7-30-21-14-10-20(11-15-21)25(26,27)31-22-12-8-18(9-13-22)19-16-23(2,3)28(29-6)24(4,5)17-19/h8-9,12-13,19-21H,7,10-11,14-17H2,1-6H3.
What are the key properties of 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine?
4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 439.59 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-ethoxycyclohexyl)-difluoromethoxy]phenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 134486565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).