1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

C14H25F3N2O2 — CID 103205314

IUPAC1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCNC1CCN(C(=O)CCOCC(F)(F)F)CC1CC
InChIInChI=1S/C14H25F3N2O2/c1-3-11-9-19(7-5-12(11)18-4-2)13(20)6-8-21-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyYMBGOLHEHHPTAQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.19
Rot. Bonds7

About 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103205314) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103205314
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCNC1CCN(C(=O)CCOCC(F)(F)F)CC1CC
InChIInChI=1S/C14H25F3N2O2/c1-3-11-9-19(7-5-12(11)18-4-2)13(20)6-8-21-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3
InChIKeyYMBGOLHEHHPTAQ-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.19
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-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103205314) is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is CCNC1CCN(C(=O)CCOCC(F)(F)F)CC1CC.
What is the InChIKey of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is YMBGOLHEHHPTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-11-9-19(7-5-12(11)18-4-2)13(20)6-8-21-10-14(15,16)17/h11-12,18H,3-10H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 310.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103205314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).