1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine

C13H21F2N3O — CID 122159334

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine
SMILESCOCC1(C)CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C13H21F2N3O/c1-13(10-19-2)3-6-17(7-4-13)9-11-16-5-8-18(11)12(14)15/h5,8,12H,3-4,6-7,9-10H2,1-2H3
InChIKeyRSWYGLVYQOXTIV-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.53
Rot. Bonds5

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine (PubChem CID 122159334) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine
PubChem CID122159334
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine
SMILESCOCC1(C)CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C13H21F2N3O/c1-13(10-19-2)3-6-17(7-4-13)9-11-16-5-8-18(11)12(14)15/h5,8,12H,3-4,6-7,9-10H2,1-2H3
InChIKeyRSWYGLVYQOXTIV-UHFFFAOYSA-N
XLogP2.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine (CID 122159334) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine is COCC1(C)CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine?
The InChIKey is RSWYGLVYQOXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c1-13(10-19-2)3-6-17(7-4-13)9-11-16-5-8-18(11)12(14)15/h5,8,12H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine has a molecular weight of 273.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(methoxymethyl)-4-methylpiperidine is sourced from PubChem (CID 122159334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).