N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine

C11H22F2N2 — CID 59472438

IUPACN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCN1CCC(F)(F)CC1
InChIInChI=1S/C11H22F2N2/c1-10(2,3)14-6-9-15-7-4-11(12,13)5-8-15/h14H,4-9H2,1-3H3
InChIKeyAEWXCAUIEYVSFE-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.11
Rot. Bonds3

About N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 59472438) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
PubChem CID59472438
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCN1CCC(F)(F)CC1
InChIInChI=1S/C11H22F2N2/c1-10(2,3)14-6-9-15-7-4-11(12,13)5-8-15/h14H,4-9H2,1-3H3
InChIKeyAEWXCAUIEYVSFE-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine (CID 59472438) is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCN1CCC(F)(F)CC1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is AEWXCAUIEYVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-10(2,3)14-6-9-15-7-4-11(12,13)5-8-15/h14H,4-9H2,1-3H3.
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 220.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 59472438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).