1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride

C12H22Cl2F2N4 — CID 119922574

IUPAC1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCN(Cc2nccn2C(F)F)CC1.Cl.Cl
InChIInChI=1S/C12H20F2N4.2ClH/c1-15-8-10-2-5-17(6-3-10)9-11-16-4-7-18(11)12(13)14;;/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3;2*1H
InChIKeyYNGNFMPSWMRONR-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.55
Rot. Bonds5

About 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride (PubChem CID 119922574) has the molecular formula C12H22Cl2F2N4 and a molecular weight of 331.24 g/mol. Its IUPAC name is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
PubChem CID119922574
Molecular FormulaC12H22Cl2F2N4
Molecular Weight331.24 g/mol
Exact Mass330.12
IUPAC Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCC1CCN(Cc2nccn2C(F)F)CC1.Cl.Cl
InChIInChI=1S/C12H20F2N4.2ClH/c1-15-8-10-2-5-17(6-3-10)9-11-16-4-7-18(11)12(13)14;;/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3;2*1H
InChIKeyYNGNFMPSWMRONR-UHFFFAOYSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263806
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63848611
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 167843932
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63848303
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 111109189
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,4-diazepane
CID 43144074
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
CID 111544146
N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120838868
3-cyclopropyl-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 126800766
2-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119867986
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 63126953

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride (CID 119922574) is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride is CNCC1CCN(Cc2nccn2C(F)F)CC1.Cl.Cl.
What is the InChIKey of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride?
The InChIKey is YNGNFMPSWMRONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4.2ClH/c1-15-8-10-2-5-17(6-3-10)9-11-16-4-7-18(11)12(13)14;;/h4,7,10,12,15H,2-3,5-6,8-9H2,1H3;2*1H.
What are the key properties of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride?
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride has a molecular weight of 331.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 119922574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).