(1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate

C13H19NO3 — CID 2888470

IUPAC(1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC1CN(C)C(C)CC1OC(=O)c1ccco1
InChIInChI=1S/C13H19NO3/c1-9-8-14(3)10(2)7-12(9)17-13(15)11-5-4-6-16-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyMLVZDGWIMKLZEE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds2

About (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate

(1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate (PubChem CID 2888470) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate
PubChem CID2888470
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate
SMILESCC1CN(C)C(C)CC1OC(=O)c1ccco1
InChIInChI=1S/C13H19NO3/c1-9-8-14(3)10(2)7-12(9)17-13(15)11-5-4-6-16-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyMLVZDGWIMKLZEE-UHFFFAOYSA-N
XLogP2.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate?
The IUPAC name of (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate (CID 2888470) is (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate.
What is the SMILES notation for (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate?
The canonical SMILES for (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate is CC1CN(C)C(C)CC1OC(=O)c1ccco1.
What is the InChIKey of (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate?
The InChIKey is MLVZDGWIMKLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-8-14(3)10(2)7-12(9)17-13(15)11-5-4-6-16-11/h4-6,9-10,12H,7-8H2,1-3H3.
What are the key properties of (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate?
(1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,5-trimethylpiperidin-4-yl) furan-2-carboxylate is sourced from PubChem (CID 2888470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).