(1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride

C15H22ClNO3 — CID 2911831

IUPAC(1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride
SMILESCCOc1ccc(C(=O)OC2CCCN(C)C2)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-3-18-13-8-6-12(7-9-13)15(17)19-14-5-4-10-16(2)11-14;/h6-9,14H,3-5,10-11H2,1-2H3;1H
InChIKeyHVMMCWNUHICWHV-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.76
Rot. Bonds4

About (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride

(1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride (PubChem CID 2911831) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride
PubChem CID2911831
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name(1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride
SMILESCCOc1ccc(C(=O)OC2CCCN(C)C2)cc1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-3-18-13-8-6-12(7-9-13)15(17)19-14-5-4-10-16(2)11-14;/h6-9,14H,3-5,10-11H2,1-2H3;1H
InChIKeyHVMMCWNUHICWHV-UHFFFAOYSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride?
The IUPAC name of (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride (CID 2911831) is (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride is CCOc1ccc(C(=O)OC2CCCN(C)C2)cc1.Cl.
What is the InChIKey of (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride?
The InChIKey is HVMMCWNUHICWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-3-18-13-8-6-12(7-9-13)15(17)19-14-5-4-10-16(2)11-14;/h6-9,14H,3-5,10-11H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride?
(1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride is sourced from PubChem (CID 2911831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).