(1-methylpiperidin-4-yl) 2-methoxybenzoate

C14H19NO3 — CID 848691

IUPAC(1-methylpiperidin-4-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC1CCN(C)CC1
InChIInChI=1S/C14H19NO3/c1-15-9-7-11(8-10-15)18-14(16)12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3
InChIKeyCQDYAFQUDQUTHZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds3

About (1-methylpiperidin-4-yl) 2-methoxybenzoate

(1-methylpiperidin-4-yl) 2-methoxybenzoate (PubChem CID 848691) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-methoxybenzoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-methoxybenzoate
PubChem CID848691
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(1-methylpiperidin-4-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OC1CCN(C)CC1
InChIInChI=1S/C14H19NO3/c1-15-9-7-11(8-10-15)18-14(16)12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3
InChIKeyCQDYAFQUDQUTHZ-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-Methoxybenzoate
CID 81784
N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
4-Piperidinol, 1-methyl-, benzoate, hydrochloride
CID 218206
1-Methylpiperidin-3-YL 2-methoxybenzoate hydrochloride
CID 2911591
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
1-[2-(3-Piperidin-1-ylpropoxy)phenyl]ethanone
CID 2950982
1-Methylpiperidin-4-YL 4-methoxybenzoate hydrochloride
CID 9549603
(3-Methoxyphenyl)methyl 2-piperidin-4-yloxybenzoate
CID 71586660
6-(3-Piperidin-1-ylpropoxy)chromen-4-one
CID 141195316
Butyl 2-methoxybenzoate
CID 222469
Benzoic acid, 2-methoxy-, pentyl ester
CID 89799
Pribecaine
CID 3050427

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-methoxybenzoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-methoxybenzoate (CID 848691) is (1-methylpiperidin-4-yl) 2-methoxybenzoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-methoxybenzoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-methoxybenzoate is COc1ccccc1C(=O)OC1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-methoxybenzoate?
The InChIKey is CQDYAFQUDQUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-9-7-11(8-10-15)18-14(16)12-5-3-4-6-13(12)17-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-methoxybenzoate?
(1-methylpiperidin-4-yl) 2-methoxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-methoxybenzoate is sourced from PubChem (CID 848691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).