4,4-difluoro-3-piperidin-3-ylbutan-1-amine

C9H18F2N2 — CID 115019045

IUPAC4,4-difluoro-3-piperidin-3-ylbutan-1-amine
SMILESNCCC(C(F)F)C1CCCNC1
InChIInChI=1S/C9H18F2N2/c10-9(11)8(3-4-12)7-2-1-5-13-6-7/h7-9,13H,1-6,12H2
InChIKeyPDIQYBZLIQYBHY-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.22
Rot. Bonds4

About 4,4-difluoro-3-piperidin-3-ylbutan-1-amine

4,4-difluoro-3-piperidin-3-ylbutan-1-amine (PubChem CID 115019045) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 4,4-difluoro-3-piperidin-3-ylbutan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-3-piperidin-3-ylbutan-1-amine
PubChem CID115019045
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name4,4-difluoro-3-piperidin-3-ylbutan-1-amine
SMILESNCCC(C(F)F)C1CCCNC1
InChIInChI=1S/C9H18F2N2/c10-9(11)8(3-4-12)7-2-1-5-13-6-7/h7-9,13H,1-6,12H2
InChIKeyPDIQYBZLIQYBHY-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-piperidin-3-ylpropan-1-ol
CID 82596067
3-[cyclobutyl(fluoro)methyl]piperidine;hydrochloride
CID 115058477
3-ethoxy-3-piperidin-3-ylpropan-1-amine
CID 105442327
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
4,4-difluoro-3-(oxan-4-yl)butan-1-amine
CID 115019360
cyclopropyl-[(3R)-piperidin-3-yl]methanamine
CID 70133311
2-methoxy-2-piperidin-3-ylethanamine
CID 105431059
2-cyclopentyl-3,3-difluoropropan-1-amine
CID 84716916
piperidin-3-ylmethanediol
CID 5231808
3-(2-bromo-1,2,2-trifluoroethyl)piperidine
CID 107140632
5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-piperidin-3-ylbutan-1-amine?
The IUPAC name of 4,4-difluoro-3-piperidin-3-ylbutan-1-amine (CID 115019045) is 4,4-difluoro-3-piperidin-3-ylbutan-1-amine.
What is the SMILES notation for 4,4-difluoro-3-piperidin-3-ylbutan-1-amine?
The canonical SMILES for 4,4-difluoro-3-piperidin-3-ylbutan-1-amine is NCCC(C(F)F)C1CCCNC1.
What is the InChIKey of 4,4-difluoro-3-piperidin-3-ylbutan-1-amine?
The InChIKey is PDIQYBZLIQYBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c10-9(11)8(3-4-12)7-2-1-5-13-6-7/h7-9,13H,1-6,12H2.
What are the key properties of 4,4-difluoro-3-piperidin-3-ylbutan-1-amine?
4,4-difluoro-3-piperidin-3-ylbutan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-piperidin-3-ylbutan-1-amine is sourced from PubChem (CID 115019045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).