1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride

C14H22ClNO3 — CID 24792334

IUPAC1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride
SMILESCC1CCN(CC(C)OC(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-11-5-7-15(8-6-11)10-12(2)18-14(16)13-4-3-9-17-13;/h3-4,9,11-12H,5-8,10H2,1-2H3;1H
InChIKeyQIMGGCLHZFFNHI-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride

1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride (PubChem CID 24792334) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride
PubChem CID24792334
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride
SMILESCC1CCN(CC(C)OC(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C14H21NO3.ClH/c1-11-5-7-15(8-6-11)10-12(2)18-14(16)13-4-3-9-17-13;/h3-4,9,11-12H,5-8,10H2,1-2H3;1H
InChIKeyQIMGGCLHZFFNHI-UHFFFAOYSA-N
XLogP2.98
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride?
The IUPAC name of 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride (CID 24792334) is 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride is CC1CCN(CC(C)OC(=O)c2ccco2)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride?
The InChIKey is QIMGGCLHZFFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.ClH/c1-11-5-7-15(8-6-11)10-12(2)18-14(16)13-4-3-9-17-13;/h3-4,9,11-12H,5-8,10H2,1-2H3;1H.
What are the key properties of 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride?
1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)propan-2-yl furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 24792334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).