(3R)-4,4-difluoro-1-methylpiperidin-3-amine

C6H12F2N2 — CID 170923047

IUPAC(3R)-4,4-difluoro-1-methylpiperidin-3-amine
SMILESCN1CCC(F)(F)[C@H](N)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-2-6(7,8)5(9)4-10/h5H,2-4,9H2,1H3/t5-/m1/s1
InChIKeyOKYUILZOSYJWOX-RXMQYKEDSA-N
MW150.17 g/mol
LogP0.28
Rot. Bonds

About (3R)-4,4-difluoro-1-methylpiperidin-3-amine

(3R)-4,4-difluoro-1-methylpiperidin-3-amine (PubChem CID 170923047) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (3R)-4,4-difluoro-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-4,4-difluoro-1-methylpiperidin-3-amine
PubChem CID170923047
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(3R)-4,4-difluoro-1-methylpiperidin-3-amine
SMILESCN1CCC(F)(F)[C@H](N)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-2-6(7,8)5(9)4-10/h5H,2-4,9H2,1H3/t5-/m1/s1
InChIKeyOKYUILZOSYJWOX-RXMQYKEDSA-N
XLogP0.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-diethoxy-1-methylpiperidin-3-amine
CID 11953520
2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine
CID 84772418
ethane;4-fluoro-1,3,4-trimethylazepane
CID 170630795
(4-fluoro-1-methylpiperidin-4-yl)-methylphosphane
CID 134365981
3,3-difluoro-1,2-dimethylpyrrolidine
CID 90368643
ethane;1-methylpiperidin-4-amine
CID 123622295
(1,4,4-trimethylpiperidin-3-yl)methanol
CID 117025806
(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane
CID 177157525
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
(2R)-2-ethyl-3,3-difluoro-1-methylpyrrolidine
CID 171827247
(4R)-8-methyl-8-azaspiro[4.5]dec-2-en-4-amine
CID 146646213
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-difluoro-1-methylpiperidin-3-amine?
The IUPAC name of (3R)-4,4-difluoro-1-methylpiperidin-3-amine (CID 170923047) is (3R)-4,4-difluoro-1-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-4,4-difluoro-1-methylpiperidin-3-amine?
The canonical SMILES for (3R)-4,4-difluoro-1-methylpiperidin-3-amine is CN1CCC(F)(F)[C@H](N)C1.
What is the InChIKey of (3R)-4,4-difluoro-1-methylpiperidin-3-amine?
The InChIKey is OKYUILZOSYJWOX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-10-3-2-6(7,8)5(9)4-10/h5H,2-4,9H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-4,4-difluoro-1-methylpiperidin-3-amine?
(3R)-4,4-difluoro-1-methylpiperidin-3-amine has a molecular weight of 150.17 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-difluoro-1-methylpiperidin-3-amine is sourced from PubChem (CID 170923047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).