(1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride

C14H20ClNO3 — CID 2911591

IUPAC(1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride
SMILESCOc1ccccc1C(=O)OC1CCCN(C)C1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-15-9-5-6-11(10-15)18-14(16)12-7-3-4-8-13(12)17-2;/h3-4,7-8,11H,5-6,9-10H2,1-2H3;1H
InChIKeySXVZXSNPUQYLFB-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.37
Rot. Bonds3

About (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride

(1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride (PubChem CID 2911591) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride
PubChem CID2911591
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride
SMILESCOc1ccccc1C(=O)OC1CCCN(C)C1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-15-9-5-6-11(10-15)18-14(16)12-7-3-4-8-13(12)17-2;/h3-4,7-8,11H,5-6,9-10H2,1-2H3;1H
InChIKeySXVZXSNPUQYLFB-UHFFFAOYSA-N
XLogP2.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Flavoxate
CID 3354
Flavoxate Hydrochloride
CID 441345
Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
Propiophenone, 4'-methoxy-3-morpholino-, hydrochloride
CID 121159
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
2-(1-Piperidinyl)ethyl 2-hydroxy-4-propoxybenzoate
CID 23723184
1-[2-(3-Piperidin-1-ylpropoxy)phenyl]ethanone
CID 2950982
1-Methylpiperidin-4-YL 4-methoxybenzoate hydrochloride
CID 9549603
4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester
CID 2911831
3-morpholino-4H-chromen-4-one
CID 4557762

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride?
The IUPAC name of (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride (CID 2911591) is (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride is COc1ccccc1C(=O)OC1CCCN(C)C1.Cl.
What is the InChIKey of (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride?
The InChIKey is SXVZXSNPUQYLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-15-9-5-6-11(10-15)18-14(16)12-7-3-4-8-13(12)17-2;/h3-4,7-8,11H,5-6,9-10H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride?
(1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 2-methoxybenzoate;hydrochloride is sourced from PubChem (CID 2911591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).