(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate

C14H20N2O3 — CID 104783906

IUPAC(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-16-7-5-11(6-8-16)19-14(17)10-3-4-12(15)13(9-10)18-2/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyAACNQHBVICMGGG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.53
Rot. Bonds3

About (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate

(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate (PubChem CID 104783906) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
PubChem CID104783906
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
SMILESCOc1cc(C(=O)OC2CCN(C)CC2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-16-7-5-11(6-8-16)19-14(17)10-3-4-12(15)13(9-10)18-2/h3-4,9,11H,5-8,15H2,1-2H3
InChIKeyAACNQHBVICMGGG-UHFFFAOYSA-N
XLogP1.53
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1-methylpiperidin-4-yl) 3,4-dimethoxybenzoate;hydrochloride
CID 2948697
(1-methylpiperidin-4-yl) 4-amino-3-nitrobenzoate
CID 60717309
(3,3,5-trimethylcyclohexyl) 4-amino-3-methoxybenzoate
CID 104783924
methyl 4-amino-3-methoxybenzoate
CID 602411
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate
CID 61284955
(1-methylpyrrolidin-3-yl) 3-amino-4-fluorobenzoate
CID 112741420
[(3S)-1-methylpiperidin-3-yl] 3,4-dimethoxybenzoate
CID 905590
(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate
CID 115950808
(1-methylpiperidin-4-yl) 3-methyl-4-propan-2-ylbenzoate
CID 130399843
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
(1-methylpiperidin-4-yl) 3-methylbenzoate chloride
CID 53347537

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate?
The IUPAC name of (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate (CID 104783906) is (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate is COc1cc(C(=O)OC2CCN(C)CC2)ccc1N.
What is the InChIKey of (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate?
The InChIKey is AACNQHBVICMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-7-5-11(6-8-16)19-14(17)10-3-4-12(15)13(9-10)18-2/h3-4,9,11H,5-8,15H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate?
(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate has a molecular weight of 264.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate is sourced from PubChem (CID 104783906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).