3-(difluoromethyl)piperidin-1-amine

C6H12F2N2 — CID 70438836

IUPAC3-(difluoromethyl)piperidin-1-amine
SMILESNN1CCCC(C(F)F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)5-2-1-3-10(9)4-5/h5-6H,1-4,9H2
InChIKeyNVBSQNRUFALMGE-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.84
Rot. Bonds1

About 3-(difluoromethyl)piperidin-1-amine

3-(difluoromethyl)piperidin-1-amine (PubChem CID 70438836) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(difluoromethyl)piperidin-1-amine.

Molecular Properties

Compound Name3-(difluoromethyl)piperidin-1-amine
PubChem CID70438836
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name3-(difluoromethyl)piperidin-1-amine
SMILESNN1CCCC(C(F)F)C1
InChIInChI=1S/C6H12F2N2/c7-6(8)5-2-1-3-10(9)4-5/h5-6H,1-4,9H2
InChIKeyNVBSQNRUFALMGE-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluoropiperidin-1-amine
CID 53404070
4-(Trifluoromethyl)piperidin-1-amine dihydrochloride
CID 122163370
3,3-Difluoro-piperidin-1-ylamine
CID 49761216
3-(Trifluoromethyl)piperidin-1-amine
CID 53417581
4-(Trifluoromethyl)piperidin-1-amine
CID 53418162
N-methyl-4-(trifluoromethyl)piperidin-1-amine
CID 57581210
Aluminum;lithium;hydride;4-(trifluoromethyl)piperidin-1-amine;hydrochloride
CID 67838157
3,3,5,5-Tetrafluoropiperidin-1-amine
CID 68872211
(4,4-Difluoropiperidin-1-yl)amine hydrochloride
CID 68872860
2,2,6,6-Tetradeuterio-4,4-difluoropiperidin-1-amine;hydrochloride
CID 87608597
3-Fluoro-3-methylpiperidin-1-amine
CID 118303158
4-(Trifluoromethyl)piperidin-1-amine hydrochloride
CID 122360073

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)piperidin-1-amine?
The IUPAC name of 3-(difluoromethyl)piperidin-1-amine (CID 70438836) is 3-(difluoromethyl)piperidin-1-amine.
What is the SMILES notation for 3-(difluoromethyl)piperidin-1-amine?
The canonical SMILES for 3-(difluoromethyl)piperidin-1-amine is NN1CCCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)piperidin-1-amine?
The InChIKey is NVBSQNRUFALMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-6(8)5-2-1-3-10(9)4-5/h5-6H,1-4,9H2.
What are the key properties of 3-(difluoromethyl)piperidin-1-amine?
3-(difluoromethyl)piperidin-1-amine has a molecular weight of 150.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)piperidin-1-amine is sourced from PubChem (CID 70438836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).