3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine

C11H20F2N2 — CID 170569255

IUPAC3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCCC(F)(F)C1)NC(C)C
InChIInChI=1S/C11H20F2N2/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15/h9,14H,3-8H2,1-2H3
InChIKeyDYGBCJXEYPKCMT-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.23
Rot. Bonds4

About 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine

3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine (PubChem CID 170569255) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine
PubChem CID170569255
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(CN1CCCC(F)(F)C1)NC(C)C
InChIInChI=1S/C11H20F2N2/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15/h9,14H,3-8H2,1-2H3
InChIKeyDYGBCJXEYPKCMT-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-Fluoropiperidin-1-yl)prop-1-en-2-amine
CID 89294562
1-(3-Fluorobuta-1,3-dien-2-yl)piperidin-3-amine
CID 134485832
(2S)-2-N-(2,2-difluoroethyl)-2-N-ethyl-1-N-prop-1-en-2-ylpropane-1,2-diamine
CID 142366002
(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine
CID 155330035
(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine
CID 155330089
1-Prop-1-en-2-yl-2-(trifluoromethyl)piperazine
CID 164060317
5-fluoro-N-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-3-amine
CID 169691180
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine;2-methylhexane
CID 170569254
3-[4-(5-methylhexyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569295
3-[4-(2,2-difluoro-5-methylhexyl)-2,6-dimethylpiperazin-1-yl]-N-methylprop-1-en-2-amine;ethane
CID 170569354
1-(3-Aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine
CID 171530774
1-[3-(Dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine
CID 171530885

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine (CID 170569255) is 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine is C=C(CN1CCCC(F)(F)C1)NC(C)C.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is DYGBCJXEYPKCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-9(2)14-10(3)7-15-6-4-5-11(12,13)8-15/h9,14H,3-8H2,1-2H3.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine?
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 218.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 170569255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).