4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine

C11H22F2N2 — CID 116991196

IUPAC4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCC(F)(F)CC1
InChIInChI=1S/C11H22F2N2/c1-10(2,9-14)3-6-15-7-4-11(12,13)5-8-15/h3-9,14H2,1-2H3
InChIKeyFVUYFSHNSHAIBL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.09
Rot. Bonds4

About 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine

4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine (PubChem CID 116991196) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine
PubChem CID116991196
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCC(F)(F)CC1
InChIInChI=1S/C11H22F2N2/c1-10(2,9-14)3-6-15-7-4-11(12,13)5-8-15/h3-9,14H2,1-2H3
InChIKeyFVUYFSHNSHAIBL-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65249592
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethylbutan-1-amine
CID 107453618
4-(4-ethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65249831
2-(4,4-difluoropiperidin-1-yl)ethanamine
CID 2758354
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2,2-dimethylbutan-1-amine
CID 65247199
5-(4,4-diethylpiperidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254542
[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid
CID 91414119
2,2-dimethyl-4-(1,4-thiazepan-4-yl)butan-1-amine
CID 65247473
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
2,2-dimethyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 65256580
4-(4-ethylazepan-1-yl)-2,2-dimethylbutan-1-amine
CID 65247436
4-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylbutan-1-amine
CID 65246838

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine (CID 116991196) is 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCN1CCC(F)(F)CC1.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is FVUYFSHNSHAIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-10(2,9-14)3-6-15-7-4-11(12,13)5-8-15/h3-9,14H2,1-2H3.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine?
4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 220.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 116991196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).