(3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine

C12H23F2N — CID 178101226

IUPAC(3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@]1(C)C[C@H](C(F)F)CN(C)C1
InChIInChI=1S/C12H23F2N/c1-9(2)5-12(3)6-10(11(13)14)7-15(4)8-12/h9-11H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKeyLIMJLYZOUNMISZ-JQWIXIFHSA-N
MW219.32 g/mol
LogP3.26
Rot. Bonds3

About (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine

(3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine (PubChem CID 178101226) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name(3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine
PubChem CID178101226
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine
SMILESCC(C)C[C@@]1(C)C[C@H](C(F)F)CN(C)C1
InChIInChI=1S/C12H23F2N/c1-9(2)5-12(3)6-10(11(13)14)7-15(4)8-12/h9-11H,5-8H2,1-4H3/t10-,12-/m0/s1
InChIKeyLIMJLYZOUNMISZ-JQWIXIFHSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The IUPAC name of (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine (CID 178101226) is (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine.
What is the SMILES notation for (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The canonical SMILES for (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine is CC(C)C[C@@]1(C)C[C@H](C(F)F)CN(C)C1.
What is the InChIKey of (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
The InChIKey is LIMJLYZOUNMISZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H23F2N/c1-9(2)5-12(3)6-10(11(13)14)7-15(4)8-12/h9-11H,5-8H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine?
(3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine has a molecular weight of 219.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(difluoromethyl)-1,3-dimethyl-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 178101226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).