4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine

C10H21F2N3 — CID 134435052

IUPAC4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N)(CN(C)CC(F)F)CC1
InChIInChI=1S/C10H21F2N3/c1-14-5-3-10(13,4-6-14)8-15(2)7-9(11)12/h9H,3-8,13H2,1-2H3
InChIKeyLQVPWRHJAYIKEW-UHFFFAOYSA-N
MW221.29 g/mol
LogP0.61
Rot. Bonds4

About 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine

4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine (PubChem CID 134435052) has the molecular formula C10H21F2N3 and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine
PubChem CID134435052
Molecular FormulaC10H21F2N3
Molecular Weight221.29 g/mol
Exact Mass221.17
IUPAC Name4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N)(CN(C)CC(F)F)CC1
InChIInChI=1S/C10H21F2N3/c1-14-5-3-10(13,4-6-14)8-15(2)7-9(11)12/h9H,3-8,13H2,1-2H3
InChIKeyLQVPWRHJAYIKEW-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine?
The IUPAC name of 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine (CID 134435052) is 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine is CN1CCC(N)(CN(C)CC(F)F)CC1.
What is the InChIKey of 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine?
The InChIKey is LQVPWRHJAYIKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3/c1-14-5-3-10(13,4-6-14)8-15(2)7-9(11)12/h9H,3-8,13H2,1-2H3.
What are the key properties of 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine?
4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine has a molecular weight of 221.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 134435052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).