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

C11H16ClNO3 — CID 2952941

IUPAC(1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride
SMILESCN1CCC(OC(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-12-6-4-9(5-7-12)15-11(13)10-3-2-8-14-10;/h2-3,8-9H,4-7H2,1H3;1H
InChIKeyWGSCMAWQWBAFBW-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.95
Rot. Bonds2

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

(1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride (PubChem CID 2952941) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride
PubChem CID2952941
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name(1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride
SMILESCN1CCC(OC(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-12-6-4-9(5-7-12)15-11(13)10-3-2-8-14-10;/h2-3,8-9H,4-7H2,1H3;1H
InChIKeyWGSCMAWQWBAFBW-UHFFFAOYSA-N
XLogP1.95
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride (CID 2952941) is (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride is CN1CCC(OC(=O)c2ccco2)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
The InChIKey is WGSCMAWQWBAFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-12-6-4-9(5-7-12)15-11(13)10-3-2-8-14-10;/h2-3,8-9H,4-7H2,1H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride?
(1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 2952941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).