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

C14H20ClNO3 — CID 6603181

IUPAC(1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride
SMILESCOc1cccc(C(=O)OC2CCCN(C)C2)c1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-15-8-4-7-13(10-15)18-14(16)11-5-3-6-12(9-11)17-2;/h3,5-6,9,13H,4,7-8,10H2,1-2H3;1H
InChIKeyFGFNBBIXBJHNKV-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.37
Rot. Bonds3

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

(1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride (PubChem CID 6603181) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride
PubChem CID6603181
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride
SMILESCOc1cccc(C(=O)OC2CCCN(C)C2)c1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-15-8-4-7-13(10-15)18-14(16)11-5-3-6-12(9-11)17-2;/h3,5-6,9,13H,4,7-8,10H2,1-2H3;1H
InChIKeyFGFNBBIXBJHNKV-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

Propiophenone, 4'-ethoxy-3-morpholino-, hydrochloride
CID 2849387
Propiophenone, 4'-butoxy-3-morpholino-, hydrochloride
CID 199911
Propiophenone, 4'-methoxy-3-morpholino-, hydrochloride
CID 121159
4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
(R)-3-(N-Isopropyl,N-n-propylamino)-5-methoxycarbonylchroman
CID 10108338
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
Merresectine A
CID 11276989
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2911466
1-Methylpiperidin-3-YL 2-methoxybenzoate hydrochloride
CID 2911591
2-Fluoro-benzoic acid 1-methyl-piperidin-3-yl ester
CID 2912317
1-Morpholinopropan-2-yl benzoate hydrochloride
CID 16682374
1-Methylpiperidin-4-YL 4-methoxybenzoate hydrochloride
CID 9549603

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride?
The IUPAC name of (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride (CID 6603181) is (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride is COc1cccc(C(=O)OC2CCCN(C)C2)c1.Cl.
What is the InChIKey of (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride?
The InChIKey is FGFNBBIXBJHNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-15-8-4-7-13(10-15)18-14(16)11-5-3-6-12(9-11)17-2;/h3,5-6,9,13H,4,7-8,10H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-3-yl) 3-methoxybenzoate;hydrochloride?
(1-methylpiperidin-3-yl) 3-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) 3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 6603181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).