1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

C16H24F2N2 — CID 79065070

IUPAC1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(F)ccc1F)N1CCCCC1
InChIInChI=1S/C16H24F2N2/c1-3-16(2,20-9-5-4-6-10-20)15(19)13-11-12(17)7-8-14(13)18/h7-8,11,15H,3-6,9-10,19H2,1-2H3
InChIKeyBCVHMRKVBFGPAC-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 79065070) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
PubChem CID79065070
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(F)ccc1F)N1CCCCC1
InChIInChI=1S/C16H24F2N2/c1-3-16(2,20-9-5-4-6-10-20)15(19)13-11-12(17)7-8-14(13)18/h7-8,11,15H,3-6,9-10,19H2,1-2H3
InChIKeyBCVHMRKVBFGPAC-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
[1-(2,4-difluorophenyl)-2-methyl-2-piperidin-1-ylbutyl]hydrazine
CID 105241349
1-(3-fluoro-4-pyridinyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 113447268
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106645806
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79060283
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(2-fluoro-4,6-dimethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 106881723

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (CID 79065070) is 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)c1cc(F)ccc1F)N1CCCCC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is BCVHMRKVBFGPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-3-16(2,20-9-5-4-6-10-20)15(19)13-11-12(17)7-8-14(13)18/h7-8,11,15H,3-6,9-10,19H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79065070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).