2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine

C12H16F2N2 — CID 126771656

IUPAC2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CN(Cc2ccccn2)CCC1(F)F
InChIInChI=1S/C12H16F2N2/c1-10-8-16(7-5-12(10,13)14)9-11-4-2-3-6-15-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyAEXNKXRYIKZVKB-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.56
Rot. Bonds2

About 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine

2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 126771656) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
PubChem CID126771656
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CN(Cc2ccccn2)CCC1(F)F
InChIInChI=1S/C12H16F2N2/c1-10-8-16(7-5-12(10,13)14)9-11-4-2-3-6-15-11/h2-4,6,10H,5,7-9H2,1H3
InChIKeyAEXNKXRYIKZVKB-UHFFFAOYSA-N
XLogP2.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
CID 117025535
CID 59694740
CID 59694740
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine (CID 126771656) is 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine is CC1CN(Cc2ccccn2)CCC1(F)F.
What is the InChIKey of 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is AEXNKXRYIKZVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-10-8-16(7-5-12(10,13)14)9-11-4-2-3-6-15-11/h2-4,6,10H,5,7-9H2,1H3.
What are the key properties of 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine?
2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 226.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 126771656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).