1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one

C12H21F3N2O — CID 114506809

IUPAC1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCCNC1CCN(C(=O)CC(F)(F)F)CC1CC
InChIInChI=1S/C12H21F3N2O/c1-3-9-8-17(6-5-10(9)16-4-2)11(18)7-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeySLMQVEMXINGNMZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds4

About 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one

1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 114506809) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID114506809
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESCCNC1CCN(C(=O)CC(F)(F)F)CC1CC
InChIInChI=1S/C12H21F3N2O/c1-3-9-8-17(6-5-10(9)16-4-2)11(18)7-12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeySLMQVEMXINGNMZ-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one (CID 114506809) is 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one is CCNC1CCN(C(=O)CC(F)(F)F)CC1CC.
What is the InChIKey of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is SLMQVEMXINGNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-9-8-17(6-5-10(9)16-4-2)11(18)7-12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 266.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(ethylamino)piperidin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 114506809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).