2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine

C10H20F2N2 — CID 116991274

IUPAC2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine
SMILESCCC(CN)CN1CCC(F)(F)CC1
InChIInChI=1S/C10H20F2N2/c1-2-9(7-13)8-14-5-3-10(11,12)4-6-14/h9H,2-8,13H2,1H3
InChIKeyWAWFXLKXFBXELM-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.70
Rot. Bonds4

About 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine

2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine (PubChem CID 116991274) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine
PubChem CID116991274
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine
SMILESCCC(CN)CN1CCC(F)(F)CC1
InChIInChI=1S/C10H20F2N2/c1-2-9(7-13)8-14-5-3-10(11,12)4-6-14/h9H,2-8,13H2,1H3
InChIKeyWAWFXLKXFBXELM-UHFFFAOYSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine (CID 116991274) is 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine is CCC(CN)CN1CCC(F)(F)CC1.
What is the InChIKey of 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine?
The InChIKey is WAWFXLKXFBXELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-2-9(7-13)8-14-5-3-10(11,12)4-6-14/h9H,2-8,13H2,1H3.
What are the key properties of 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine?
2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropiperidin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 116991274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).