3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride

C6H11ClF2N2O — CID 19966328

IUPAC3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride
SMILESCl.NC1(C(F)F)CCCNC1=O
InChIInChI=1S/C6H10F2N2O.ClH/c7-4(8)6(9)2-1-3-10-5(6)11;/h4H,1-3,9H2,(H,10,11);1H
InChIKeyFSUWHVVMLZRNKO-UHFFFAOYSA-N
MW200.62 g/mol
LogP0.28
Rot. Bonds1

About 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride

3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride (PubChem CID 19966328) has the molecular formula C6H11ClF2N2O and a molecular weight of 200.62 g/mol. Its IUPAC name is 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride
PubChem CID19966328
Molecular FormulaC6H11ClF2N2O
Molecular Weight200.62 g/mol
Exact Mass200.05
IUPAC Name3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride
SMILESCl.NC1(C(F)F)CCCNC1=O
InChIInChI=1S/C6H10F2N2O.ClH/c7-4(8)6(9)2-1-3-10-5(6)11;/h4H,1-3,9H2,(H,10,11);1H
InChIKeyFSUWHVVMLZRNKO-UHFFFAOYSA-N
XLogP0.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride?
The IUPAC name of 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride (CID 19966328) is 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride?
The canonical SMILES for 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride is Cl.NC1(C(F)F)CCCNC1=O.
What is the InChIKey of 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride?
The InChIKey is FSUWHVVMLZRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2O.ClH/c7-4(8)6(9)2-1-3-10-5(6)11;/h4H,1-3,9H2,(H,10,11);1H.
What are the key properties of 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride?
3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride has a molecular weight of 200.62 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(difluoromethyl)piperidin-2-one;hydrochloride is sourced from PubChem (CID 19966328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).