3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine

C9H16F2N2 — CID 170214625

IUPAC3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine
SMILESC=C(N)CC1CCN(C)CC1(F)F
InChIInChI=1S/C9H16F2N2/c1-7(12)5-8-3-4-13(2)6-9(8,10)11/h8H,1,3-6,12H2,2H3
InChIKeyPTHLXNYOVYHRDL-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.44
Rot. Bonds2

About 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine

3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine (PubChem CID 170214625) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine
PubChem CID170214625
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine
SMILESC=C(N)CC1CCN(C)CC1(F)F
InChIInChI=1S/C9H16F2N2/c1-7(12)5-8-3-4-13(2)6-9(8,10)11/h8H,1,3-6,12H2,2H3
InChIKeyPTHLXNYOVYHRDL-UHFFFAOYSA-N
XLogP1.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4,4-dimethylpent-1-en-2-amine
CID 129084034
4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
2-[4-(Trifluoromethyl)piperidin-1-yl]pent-1-en-3-imine
CID 167264314
1-(3,3-Difluoroprop-1-en-2-yl)-4-ethylpiperidine
CID 169990046
4,4-Difluoro-1-(3-methylbut-1-en-2-yl)piperidine
CID 170064475
2-Methylidene-1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 171846409
N-(2-fluoroethyl)-1-piperidin-4-ylethenamine
CID 174338337
1-But-1-en-2-yl-3,3-difluoro-4-methylpiperidine
CID 177156230
1-But-1-en-2-yl-3-fluoro-4-methylpiperidine
CID 177156790
1-(3-Fluoroprop-1-en-2-yl)-4-prop-1-en-2-ylpiperidine
CID 142835625
1-But-1-en-2-yl-4-(fluoromethyl)piperidine
CID 145230952
4-(4,4-Difluoropiperidin-1-yl)-5-methylcyclohexa-1,3-dien-1-amine
CID 146676174

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine?
The IUPAC name of 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine (CID 170214625) is 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine.
What is the SMILES notation for 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine?
The canonical SMILES for 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine is C=C(N)CC1CCN(C)CC1(F)F.
What is the InChIKey of 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine?
The InChIKey is PTHLXNYOVYHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-7(12)5-8-3-4-13(2)6-9(8,10)11/h8H,1,3-6,12H2,2H3.
What are the key properties of 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine?
3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine has a molecular weight of 190.24 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoro-1-methylpiperidin-4-yl)prop-1-en-2-amine is sourced from PubChem (CID 170214625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).