N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C14H22F2N4 — CID 103815917

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESFC(F)n1ccnc1CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H22F2N4/c15-14(16)20-7-6-18-13(20)10-19(12-3-4-12)9-11-2-1-5-17-8-11/h6-7,11-12,14,17H,1-5,8-10H2
InChIKeyQBWCAGBSTRQVFG-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.24
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 103815917) has the molecular formula C14H22F2N4 and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID103815917
Molecular FormulaC14H22F2N4
Molecular Weight284.35 g/mol
Exact Mass284.18
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESFC(F)n1ccnc1CN(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H22F2N4/c15-14(16)20-7-6-18-13(20)10-19(12-3-4-12)9-11-2-1-5-17-8-11/h6-7,11-12,14,17H,1-5,8-10H2
InChIKeyQBWCAGBSTRQVFG-UHFFFAOYSA-N
XLogP2.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973927
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride
CID 119933016
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640259
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717441
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66184805
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
CID 106938088
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
CID 71920109
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 103815917) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is FC(F)n1ccnc1CN(CC1CCCNC1)C1CC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is QBWCAGBSTRQVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4/c15-14(16)20-7-6-18-13(20)10-19(12-3-4-12)9-11-2-1-5-17-8-11/h6-7,11-12,14,17H,1-5,8-10H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 284.35 g/mol, XLogP of 2.24, 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-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 103815917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).