(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine

C9H17F2NO — CID 129230048

IUPAC(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
SMILESCCN1CC[C@@H](OC(F)F)[C@@H](C)C1
InChIInChI=1S/C9H17F2NO/c1-3-12-5-4-8(7(2)6-12)13-9(10)11/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyZCLZISPJZNPOEY-JGVFFNPUSA-N
MW193.24 g/mol
LogP1.96
Rot. Bonds3

About (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine

(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine (PubChem CID 129230048) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine.

Molecular Properties

Compound Name(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
PubChem CID129230048
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
SMILESCCN1CC[C@@H](OC(F)F)[C@@H](C)C1
InChIInChI=1S/C9H17F2NO/c1-3-12-5-4-8(7(2)6-12)13-9(10)11/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyZCLZISPJZNPOEY-JGVFFNPUSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine?
The IUPAC name of (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine (CID 129230048) is (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine.
What is the SMILES notation for (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine?
The canonical SMILES for (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine is CCN1CC[C@@H](OC(F)F)[C@@H](C)C1.
What is the InChIKey of (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine?
The InChIKey is ZCLZISPJZNPOEY-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-3-12-5-4-8(7(2)6-12)13-9(10)11/h7-9H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine?
(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine has a molecular weight of 193.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine is sourced from PubChem (CID 129230048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).