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

C14H22F2N4 — CID 63848303

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)n1ccnc1CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H22F2N4/c15-14(16)20-7-5-17-13(20)10-19-6-1-2-11(9-19)8-18-12-3-4-12/h5,7,11-12,14,18H,1-4,6,8-10H2
InChIKeyAVKHLUUPNBNLLN-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.24
Rot. Bonds6

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

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 63848303) has the molecular formula C14H22F2N4 and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine
PubChem CID63848303
Molecular FormulaC14H22F2N4
Molecular Weight284.35 g/mol
Exact Mass284.18
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)n1ccnc1CN1CCCC(CNC2CC2)C1
InChIInChI=1S/C14H22F2N4/c15-14(16)20-7-5-17-13(20)10-19-6-1-2-11(9-19)8-18-12-3-4-12/h5,7,11-12,14,18H,1-4,6,8-10H2
InChIKeyAVKHLUUPNBNLLN-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

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263806
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
CID 124610098
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63847429
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
CID 119922574
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63848611
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,4-diazepane
CID 43144074
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62582239
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580437
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol
CID 113251773
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63847439
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 167843932

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine (CID 63848303) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine is FC(F)n1ccnc1CN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is AVKHLUUPNBNLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4/c15-14(16)20-7-5-17-13(20)10-19-6-1-2-11(9-19)8-18-12-3-4-12/h5,7,11-12,14,18H,1-4,6,8-10H2.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]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-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63848303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).