N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

C12H24F2N2 — CID 62591699

IUPACN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(CC(F)F)CC1
InChIInChI=1S/C12H24F2N2/c1-12(2,3)15-8-10-4-6-16(7-5-10)9-11(13)14/h10-11,15H,4-9H2,1-3H3
InChIKeyQMHOXEZQUDBQCP-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.35
Rot. Bonds4

About N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62591699) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62591699
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC NameN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(CC(F)F)CC1
InChIInChI=1S/C12H24F2N2/c1-12(2,3)15-8-10-4-6-16(7-5-10)9-11(13)14/h10-11,15H,4-9H2,1-3H3
InChIKeyQMHOXEZQUDBQCP-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 62591699) is N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QMHOXEZQUDBQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-12(2,3)15-8-10-4-6-16(7-5-10)9-11(13)14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62591699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).