[1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine

C12H17F2N3 — CID 107160431

IUPAC[1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C12H17F2N3/c1-12(8-15)2-4-17(5-3-12)11-10(14)6-9(13)7-16-11/h6-7H,2-5,8,15H2,1H3
InChIKeyINGLGICPRLUASP-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.92
Rot. Bonds2

About [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine

[1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine (PubChem CID 107160431) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
PubChem CID107160431
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name[1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C12H17F2N3/c1-12(8-15)2-4-17(5-3-12)11-10(14)6-9(13)7-16-11/h6-7H,2-5,8,15H2,1H3
InChIKeyINGLGICPRLUASP-UHFFFAOYSA-N
XLogP1.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3,5-difluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112675459
2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 112676170
2-(4-ethyl-4-methylpiperidin-1-yl)-5-fluoropyridine-3-carboxylic acid
CID 114034455
1-(3,5-difluoro-2-pyridinyl)-3-ethylazetidin-3-amine
CID 112676655
5-[4-(3,5-difluoro-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 115993890
[2-(4,4-dimethylazepan-1-yl)-5-fluoro-3-pyridinyl]methanamine
CID 114035391
1-(3,5-difluoro-2-pyridinyl)piperidin-4-ol
CID 112676295
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 115993891
1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
CID 112676232
[4-methyl-1-(2,4,6-trifluorophenyl)sulfonylpiperidin-4-yl]methanamine
CID 107160228
[1-(2-methoxy-4-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160457

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine (CID 107160431) is [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine is CC1(CN)CCN(c2ncc(F)cc2F)CC1.
What is the InChIKey of [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
The InChIKey is INGLGICPRLUASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-12(8-15)2-4-17(5-3-12)11-10(14)6-9(13)7-16-11/h6-7H,2-5,8,15H2,1H3.
What are the key properties of [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine?
[1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine has a molecular weight of 241.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluoro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 107160431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).