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

C27H44FNO — CID 134486543

IUPAC4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCOC1CCC(CCc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)CC1
InChIInChI=1S/C27H44FNO/c1-7-16-30-23-13-10-20(11-14-23)8-9-21-12-15-24(25(28)17-21)22-18-26(2,3)29(6)27(4,5)19-22/h12,15,17,20,22-23H,7-11,13-14,16,18-19H2,1-6H3
InChIKeyLGLQPAQVJISHNW-UHFFFAOYSA-N
MW417.65 g/mol
LogP7.11
Rot. Bonds7

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

4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine (PubChem CID 134486543) has the molecular formula C27H44FNO and a molecular weight of 417.65 g/mol. Its IUPAC name is 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
PubChem CID134486543
Molecular FormulaC27H44FNO
Molecular Weight417.65 g/mol
Exact Mass417.34
IUPAC Name4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCCCOC1CCC(CCc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)CC1
InChIInChI=1S/C27H44FNO/c1-7-16-30-23-13-10-20(11-14-23)8-9-21-12-15-24(25(28)17-21)22-18-26(2,3)29(6)27(4,5)19-22/h12,15,17,20,22-23H,7-11,13-14,16,18-19H2,1-6H3
InChIKeyLGLQPAQVJISHNW-UHFFFAOYSA-N
XLogP7.11
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 ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine with MolForge

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Related Compounds

4-Benzyl-1-[3-phenylpropoxy)propyl]piperidine
CID 44563685
US11214540, Example 4
CID 142475238
US11214540, Example 1
CID 155139233
US11214540, Example 21
CID 142475107
US11214540, Example 9
CID 142475187
US11214540, Example 15
CID 142475296
US11214540, Example 3
CID 142475195
US11214540, Example 64
CID 142475128
(3S,4R)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine
CID 97422405
(3S,4S)-3-benzyl-4-methoxy-1-(oxan-4-yl)piperidine
CID 97422724
1-[2-(4-Phenyl-2-propan-2-yloxan-4-yl)ethyl]piperidine
CID 2857605
8-Tert-butyl-3-[2-(4-fluorophenyl)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 18342613

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine (CID 134486543) is 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine is CCCOC1CCC(CCc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)CC1.
What is the InChIKey of 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is LGLQPAQVJISHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44FNO/c1-7-16-30-23-13-10-20(11-14-23)8-9-21-12-15-24(25(28)17-21)22-18-26(2,3)29(6)27(4,5)19-22/h12,15,17,20,22-23H,7-11,13-14,16,18-19H2,1-6H3.
What are the key properties of 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine?
4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 417.65 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[2-(4-propoxycyclohexyl)ethyl]phenyl]-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 134486543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).