6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine

C13H20F2N2 — CID 162591937

IUPAC6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine
SMILESCC1C=CC=C(CN2CCC(F)(F)CC2)N1C
InChIInChI=1S/C13H20F2N2/c1-11-4-3-5-12(16(11)2)10-17-8-6-13(14,15)7-9-17/h3-5,11H,6-10H2,1-2H3
InChIKeyBNELKOCTMWRAQI-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.49
Rot. Bonds2

About 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine

6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine (PubChem CID 162591937) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine
PubChem CID162591937
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine
SMILESCC1C=CC=C(CN2CCC(F)(F)CC2)N1C
InChIInChI=1S/C13H20F2N2/c1-11-4-3-5-12(16(11)2)10-17-8-6-13(14,15)7-9-17/h3-5,11H,6-10H2,1-2H3
InChIKeyBNELKOCTMWRAQI-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[4-(4,4-Difluorocyclohexa-1,5-dien-1-yl)-1-methylpiperazin-2-yl]ethanamine
CID 141052870
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclohexa-1,5-dien-1-amine
CID 141950109
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 142300725
1-[2-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-4-propylpiperazine
CID 143150984

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine?
The IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine (CID 162591937) is 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine?
The canonical SMILES for 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine is CC1C=CC=C(CN2CCC(F)(F)CC2)N1C.
What is the InChIKey of 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine?
The InChIKey is BNELKOCTMWRAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-11-4-3-5-12(16(11)2)10-17-8-6-13(14,15)7-9-17/h3-5,11H,6-10H2,1-2H3.
What are the key properties of 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine?
6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine has a molecular weight of 242.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluoropiperidin-1-yl)methyl]-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 162591937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).