(3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride

C7H14ClF2N — CID 135387056

IUPAC(3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride
SMILESC[C@@H]1CNC[C@H](C)C1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-5-3-10-4-6(2)7(5,8)9;/h5-6,10H,3-4H2,1-2H3;1H/t5-,6+;
InChIKeyGTJWXINJWOFKPF-KNCHESJLSA-N
MW185.64 g/mol
LogP1.92
Rot. Bonds

About (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride

(3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride (PubChem CID 135387056) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride
PubChem CID135387056
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name(3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride
SMILESC[C@@H]1CNC[C@H](C)C1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-5-3-10-4-6(2)7(5,8)9;/h5-6,10H,3-4H2,1-2H3;1H/t5-,6+;
InChIKeyGTJWXINJWOFKPF-KNCHESJLSA-N
XLogP1.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride?
The IUPAC name of (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride (CID 135387056) is (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride.
What is the SMILES notation for (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride?
The canonical SMILES for (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride is C[C@@H]1CNC[C@H](C)C1(F)F.Cl.
What is the InChIKey of (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride?
The InChIKey is GTJWXINJWOFKPF-KNCHESJLSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-5-3-10-4-6(2)7(5,8)9;/h5-6,10H,3-4H2,1-2H3;1H/t5-,6+;.
What are the key properties of (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride?
(3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4,4-difluoro-3,5-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 135387056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).