N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine

C13H22F2N4 — CID 79717441

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1nccn1C(F)F)CC1CCNCC1
InChIInChI=1S/C13H22F2N4/c1-2-18(9-11-3-5-16-6-4-11)10-12-17-7-8-19(12)13(14)15/h7-8,11,13,16H,2-6,9-10H2,1H3
InChIKeyLPXHPDWMKUYDQB-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.10
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79717441) has the molecular formula C13H22F2N4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79717441
Molecular FormulaC13H22F2N4
Molecular Weight272.34 g/mol
Exact Mass272.18
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1nccn1C(F)F)CC1CCNCC1
InChIInChI=1S/C13H22F2N4/c1-2-18(9-11-3-5-16-6-4-11)10-12-17-7-8-19(12)13(14)15/h7-8,11,13,16H,2-6,9-10H2,1H3
InChIKeyLPXHPDWMKUYDQB-UHFFFAOYSA-N
XLogP2.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride
CID 119933016
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 103815917
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66184805
1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
CID 106938088
N-ethyl-2-(1-methylimidazol-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638427
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
CID 84734211
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973927
3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 79719529
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716550
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79717441) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1nccn1C(F)F)CC1CCNCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is LPXHPDWMKUYDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4/c1-2-18(9-11-3-5-16-6-4-11)10-12-17-7-8-19(12)13(14)15/h7-8,11,13,16H,2-6,9-10H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 272.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79717441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).