[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine

C7H14F2N2O — CID 97300367

IUPAC[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine
SMILESNC[C@H]1CC[C@H](OC(F)F)CN1
InChIInChI=1S/C7H14F2N2O/c8-7(9)12-6-2-1-5(3-10)11-4-6/h5-7,11H,1-4,10H2/t5-,6+/m1/s1
InChIKeyOZOGSOXHHHWEHA-RITPCOANSA-N
MW180.20 g/mol
LogP0.30
Rot. Bonds3

About [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine

[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine (PubChem CID 97300367) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine
PubChem CID97300367
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine
SMILESNC[C@H]1CC[C@H](OC(F)F)CN1
InChIInChI=1S/C7H14F2N2O/c8-7(9)12-6-2-1-5(3-10)11-4-6/h5-7,11H,1-4,10H2/t5-,6+/m1/s1
InChIKeyOZOGSOXHHHWEHA-RITPCOANSA-N
XLogP0.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol
CID 122554867
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine
CID 124594476
[(2S,4R)-4-fluoropyrrolidin-2-yl]methanamine
CID 167726327
1-(difluoromethoxy)-4-methylcyclohexane;ethane
CID 142353854
bis[(3R,5S)-5-(difluoromethoxymethyl)pyrrolidin-3-yl] carbonate
CID 175141092
3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
CID 122242169
1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402
1-(difluoromethoxy)-4-(isocyanomethyl)cyclohexane
CID 84770968
ethane;(5-methoxypiperidin-2-yl)methanol
CID 156651276
3-(difluoromethoxy)cyclobutan-1-amine;hydrochloride
CID 127263764
trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707197

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine (CID 97300367) is [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine is NC[C@H]1CC[C@H](OC(F)F)CN1.
What is the InChIKey of [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine?
The InChIKey is OZOGSOXHHHWEHA-RITPCOANSA-N. The full InChI is InChI=1S/C7H14F2N2O/c8-7(9)12-6-2-1-5(3-10)11-4-6/h5-7,11H,1-4,10H2/t5-,6+/m1/s1.
What are the key properties of [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine?
[(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine has a molecular weight of 180.20 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(difluoromethoxy)piperidin-2-yl]methanamine is sourced from PubChem (CID 97300367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).