3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine

C10H21F2N3 — CID 60921363

IUPAC3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H21F2N3/c1-9(6-13)7-14-2-4-15(5-3-14)8-10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyNQGDCAQTJARMKJ-UHFFFAOYSA-N
MW221.29 g/mol
LogP0.46
Rot. Bonds5

About 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine

3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 60921363) has the molecular formula C10H21F2N3 and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID60921363
Molecular FormulaC10H21F2N3
Molecular Weight221.29 g/mol
Exact Mass221.17
IUPAC Name3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(CN)CN1CCN(CC(F)F)CC1
InChIInChI=1S/C10H21F2N3/c1-9(6-13)7-14-2-4-15(5-3-14)8-10(11)12/h9-10H,2-8,13H2,1H3
InChIKeyNQGDCAQTJARMKJ-UHFFFAOYSA-N
XLogP0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine (CID 60921363) is 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine is CC(CN)CN1CCN(CC(F)F)CC1.
What is the InChIKey of 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is NQGDCAQTJARMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3/c1-9(6-13)7-14-2-4-15(5-3-14)8-10(11)12/h9-10H,2-8,13H2,1H3.
What are the key properties of 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine?
3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 60921363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).