4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine

C15H27F2NO — CID 167026498

IUPAC4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(O[C@H]2CCCC(F)(F)C2)CC1
InChIInChI=1S/C15H27F2NO/c1-12(2)18-9-7-14(3,8-10-18)19-13-5-4-6-15(16,17)11-13/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyCCQGDKNTUCIYKM-ZDUSSCGKSA-N
MW275.38 g/mol
LogP3.84
Rot. Bonds3

About 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine

4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine (PubChem CID 167026498) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine
PubChem CID167026498
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C)(O[C@H]2CCCC(F)(F)C2)CC1
InChIInChI=1S/C15H27F2NO/c1-12(2)18-9-7-14(3,8-10-18)19-13-5-4-6-15(16,17)11-13/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyCCQGDKNTUCIYKM-ZDUSSCGKSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine (CID 167026498) is 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine is CC(C)N1CCC(C)(O[C@H]2CCCC(F)(F)C2)CC1.
What is the InChIKey of 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine?
The InChIKey is CCQGDKNTUCIYKM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-12(2)18-9-7-14(3,8-10-18)19-13-5-4-6-15(16,17)11-13/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine?
4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine has a molecular weight of 275.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-3,3-difluorocyclohexyl]oxy-4-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 167026498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).