N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine

C11H20F2N2 — CID 166774447

IUPACN-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC1CCN(C)CC1(F)F
InChIInChI=1S/C11H20F2N2/c1-4-6-14(2)8-10-5-7-15(3)9-11(10,12)13/h4,10H,1,5-9H2,2-3H3
InChIKeyPITJAEPOSVNTHP-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.69
Rot. Bonds4

About N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine

N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine (PubChem CID 166774447) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine
PubChem CID166774447
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC NameN-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine
SMILESC=CCN(C)CC1CCN(C)CC1(F)F
InChIInChI=1S/C11H20F2N2/c1-4-6-14(2)8-10-5-7-15(3)9-11(10,12)13/h4,10H,1,5-9H2,2-3H3
InChIKeyPITJAEPOSVNTHP-UHFFFAOYSA-N
XLogP1.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The IUPAC name of N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine (CID 166774447) is N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine is C=CCN(C)CC1CCN(C)CC1(F)F.
What is the InChIKey of N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine?
The InChIKey is PITJAEPOSVNTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-4-6-14(2)8-10-5-7-15(3)9-11(10,12)13/h4,10H,1,5-9H2,2-3H3.
What are the key properties of N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine?
N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine has a molecular weight of 218.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]-N-methylprop-2-en-1-amine is sourced from PubChem (CID 166774447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).