[(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride

C14H19ClN2O3 — CID 2831521

IUPAC[(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride
SMILESCOc1ccc(C(=O)ON=C2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-16-9-7-12(8-10-16)15-19-14(17)11-3-5-13(18-2)6-4-11;/h3-6H,7-10H2,1-2H3;1H
InChIKeyAMOOZXGVBLQGKU-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.36
Rot. Bonds3

About [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride

[(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride (PubChem CID 2831521) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name[(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride
PubChem CID2831521
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name[(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride
SMILESCOc1ccc(C(=O)ON=C2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C14H18N2O3.ClH/c1-16-9-7-12(8-10-16)15-19-14(17)11-3-5-13(18-2)6-4-11;/h3-6H,7-10H2,1-2H3;1H
InChIKeyAMOOZXGVBLQGKU-UHFFFAOYSA-N
XLogP2.36
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Cyclomethycaine
CID 10839
1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 70563
4-(2-Piperidinoethoxy)benzoic acid hydrochloride
CID 5743835
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
1-(4-Methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984719
1-(4-Methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one--hydrogen chloride (1/1)
CID 24761516
1-phenylethanone O-(4-methoxybenzoyl)oxime
CID 5412057
1-Methylpiperidin-4-YL 4-methoxybenzoate hydrochloride
CID 9549603
4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester
CID 2911831
(1,2,5-Trimethylpiperidin-4-yl) 4-butoxybenzoate
CID 658199
4-(((4-Methoxybenzoyl)oxy)imino)-2,6-dimethylcyclohexa-2,5-dienone
CID 710899
2-Morpholin-4-ylethyl 4-methoxybenzoate hydrochloride
CID 2836400

Frequently Asked Questions

What is the IUPAC name of [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride?
The IUPAC name of [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride (CID 2831521) is [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride.
What is the SMILES notation for [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride?
The canonical SMILES for [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride is COc1ccc(C(=O)ON=C2CCN(C)CC2)cc1.Cl.
What is the InChIKey of [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride?
The InChIKey is AMOOZXGVBLQGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c1-16-9-7-12(8-10-16)15-19-14(17)11-3-5-13(18-2)6-4-11;/h3-6H,7-10H2,1-2H3;1H.
What are the key properties of [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride?
[(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylpiperidin-4-ylidene)amino] 4-methoxybenzoate;hydrochloride is sourced from PubChem (CID 2831521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).