N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine

C12H17F2N3 — CID 112676008

IUPACN-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine
SMILESCC1CC(Nc2ncc(F)cc2F)CCN1C
InChIInChI=1S/C12H17F2N3/c1-8-5-10(3-4-17(8)2)16-12-11(14)6-9(13)7-15-12/h6-8,10H,3-5H2,1-2H3,(H,15,16)
InChIKeyGDHQDACLQVKTHF-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.25
Rot. Bonds2

About N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine

N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine (PubChem CID 112676008) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine
PubChem CID112676008
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine
SMILESCC1CC(Nc2ncc(F)cc2F)CCN1C
InChIInChI=1S/C12H17F2N3/c1-8-5-10(3-4-17(8)2)16-12-11(14)6-9(13)7-15-12/h6-8,10H,3-5H2,1-2H3,(H,15,16)
InChIKeyGDHQDACLQVKTHF-UHFFFAOYSA-N
XLogP2.25
TPSA28.16 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-3,5-difluoropyridin-2-amine
CID 112676196
N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine
CID 156875168
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
3,5-dichloro-6-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylpyridine-2,6-diamine
CID 102759271
N-(1,2-dimethylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 79033350
5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine
CID 114539767
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563
4-[(1,2-dimethylpiperidin-4-yl)amino]-2-fluorobenzenecarbothioamide
CID 115368512
5-chloro-1-N-(1,2-dimethylpiperidin-4-yl)-6-fluorobenzene-1,2,4-triamine
CID 103553346
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine (CID 112676008) is N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine is CC1CC(Nc2ncc(F)cc2F)CCN1C.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine?
The InChIKey is GDHQDACLQVKTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-8-5-10(3-4-17(8)2)16-12-11(14)6-9(13)7-15-12/h6-8,10H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine?
N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine has a molecular weight of 241.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).