N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine

C15H26F2N4 — CID 63848611

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C15H26F2N4/c1-12(2)9-18-10-13-3-6-20(7-4-13)11-14-19-5-8-21(14)15(16)17/h5,8,12-13,15,18H,3-4,6-7,9-11H2,1-2H3
InChIKeyADEHPQONYOUMSY-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.74
Rot. Bonds7

About N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63848611) has the molecular formula C15H26F2N4 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID63848611
Molecular FormulaC15H26F2N4
Molecular Weight300.40 g/mol
Exact Mass300.21
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C15H26F2N4/c1-12(2)9-18-10-13-3-6-20(7-4-13)11-14-19-5-8-21(14)15(16)17/h5,8,12-13,15,18H,3-4,6-7,9-11H2,1-2H3
InChIKeyADEHPQONYOUMSY-UHFFFAOYSA-N
XLogP2.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 63848611) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ADEHPQONYOUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N4/c1-12(2)9-18-10-13-3-6-20(7-4-13)11-14-19-5-8-21(14)15(16)17/h5,8,12-13,15,18H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 300.40 g/mol, XLogP of 2.74, 7 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-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63848611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).