[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine

C9H18F2N2 — CID 84664103

IUPAC[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
SMILESCC(F)(F)CN1CCCC(CN)C1
InChIInChI=1S/C9H18F2N2/c1-9(10,11)7-13-4-2-3-8(5-12)6-13/h8H,2-7,12H2,1H3
InChIKeyGFAFSUNIJYWNJN-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds3

About [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine

[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine (PubChem CID 84664103) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
PubChem CID84664103
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine
SMILESCC(F)(F)CN1CCCC(CN)C1
InChIInChI=1S/C9H18F2N2/c1-9(10,11)7-13-4-2-3-8(5-12)6-13/h8H,2-7,12H2,1H3
InChIKeyGFAFSUNIJYWNJN-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
1-[(3R)-3-(aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
CID 129494683
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine
CID 84656475
[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methanamine
CID 42253697
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
(1-tert-butylazepan-3-yl)methanamine
CID 84659780
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine?
The IUPAC name of [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine (CID 84664103) is [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine is CC(F)(F)CN1CCCC(CN)C1.
What is the InChIKey of [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine?
The InChIKey is GFAFSUNIJYWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-9(10,11)7-13-4-2-3-8(5-12)6-13/h8H,2-7,12H2,1H3.
What are the key properties of [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine?
[1-(2,2-difluoropropyl)piperidin-3-yl]methanamine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoropropyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 84664103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).