1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one

C10H18F2N2O2 — CID 103205270

IUPAC1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESNC1CCN(C(=O)CCOCC(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)7-16-6-3-10(15)14-4-1-8(13)2-5-14/h8-9H,1-7,13H2
InChIKeyAHAVYRPLWSVNDB-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.61
Rot. Bonds5

About 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one

1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103205270) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103205270
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one
SMILESNC1CCN(C(=O)CCOCC(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)7-16-6-3-10(15)14-4-1-8(13)2-5-14/h8-9H,1-7,13H2
InChIKeyAHAVYRPLWSVNDB-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one (CID 103205270) is 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one is NC1CCN(C(=O)CCOCC(F)F)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is AHAVYRPLWSVNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-9(12)7-16-6-3-10(15)14-4-1-8(13)2-5-14/h8-9H,1-7,13H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one?
1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 236.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103205270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).