2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine

C12H16F2N2 — CID 171993927

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCC(C(F)F)CC2)c1
InChIInChI=1S/C12H16F2N2/c1-9-2-5-15-11(8-9)16-6-3-10(4-7-16)12(13)14/h2,5,8,10,12H,3-4,6-7H2,1H3
InChIKeyMEIMLGFLCIHQBR-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.87
Rot. Bonds2

About 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine

2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine (PubChem CID 171993927) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
PubChem CID171993927
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCC(C(F)F)CC2)c1
InChIInChI=1S/C12H16F2N2/c1-9-2-5-15-11(8-9)16-6-3-10(4-7-16)12(13)14/h2,5,8,10,12H,3-4,6-7H2,1H3
InChIKeyMEIMLGFLCIHQBR-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine (CID 171993927) is 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine is Cc1ccnc(N2CCC(C(F)F)CC2)c1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine?
The InChIKey is MEIMLGFLCIHQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-9-2-5-15-11(8-9)16-6-3-10(4-7-16)12(13)14/h2,5,8,10,12H,3-4,6-7H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine?
2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine has a molecular weight of 226.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine is sourced from PubChem (CID 171993927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).