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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Related Compounds

1-(2-ethylpentyl)-3,3-difluoropyrrolidine
CID 130419412
2-(8-azaspiro[4.5]decan-8-ylmethyl)pentan-1-amine
CID 65233266
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)butan-1-amine
CID 65232676
2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 81079096
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107473432
2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 2758354
1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
CID 171837241
[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol
CID 104695290
1-(butan-2-yloxymethyl)-4,4-difluoropiperidine
CID 174009753
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
CID 131212587
3,3-difluoro-1-(2-heptylnonyl)pyrrolidine
CID 130348172

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).