3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane

C12H26F2N2O — CID 169133997

IUPAC3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
SMILESCC.CNC1C(C)CN(CCOC)CC1(F)F
InChIInChI=1S/C10H20F2N2O.C2H6/c1-8-6-14(4-5-15-3)7-10(11,12)9(8)13-2;1-2/h8-9,13H,4-7H2,1-3H3;1-2H3
InChIKeyIMDNYZPRKLKFIL-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.83
Rot. Bonds4

About 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane

3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane (PubChem CID 169133997) has the molecular formula C12H26F2N2O and a molecular weight of 252.35 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
PubChem CID169133997
Molecular FormulaC12H26F2N2O
Molecular Weight252.35 g/mol
Exact Mass252.20
IUPAC Name3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
SMILESCC.CNC1C(C)CN(CCOC)CC1(F)F
InChIInChI=1S/C10H20F2N2O.C2H6/c1-8-6-14(4-5-15-3)7-10(11,12)9(8)13-2;1-2/h8-9,13H,4-7H2,1-3H3;1-2H3
InChIKeyIMDNYZPRKLKFIL-UHFFFAOYSA-N
XLogP1.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane?
The IUPAC name of 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane (CID 169133997) is 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane.
What is the SMILES notation for 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane?
The canonical SMILES for 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane is CC.CNC1C(C)CN(CCOC)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane?
The InChIKey is IMDNYZPRKLKFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O.C2H6/c1-8-6-14(4-5-15-3)7-10(11,12)9(8)13-2;1-2/h8-9,13H,4-7H2,1-3H3;1-2H3.
What are the key properties of 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane?
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane has a molecular weight of 252.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane is sourced from PubChem (CID 169133997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).