(1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride

C14H20ClNO3 — CID 2947435

IUPAC(1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride
SMILESCOc1cccc(C(=O)OC2CCN(C)CC2)c1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-15-8-6-12(7-9-15)18-14(16)11-4-3-5-13(10-11)17-2;/h3-5,10,12H,6-9H2,1-2H3;1H
InChIKeyUMZCGLSGDTZHQU-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.37
Rot. Bonds3

About (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride

(1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride (PubChem CID 2947435) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride
PubChem CID2947435
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride
SMILESCOc1cccc(C(=O)OC2CCN(C)CC2)c1.Cl
InChIInChI=1S/C14H19NO3.ClH/c1-15-8-6-12(7-9-15)18-14(16)11-4-3-5-13(10-11)17-2;/h3-5,10,12H,6-9H2,1-2H3;1H
InChIKeyUMZCGLSGDTZHQU-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

Dyclonine Hydrochloride
CID 68304
Cyclomethycaine
CID 10839
1-Propanone, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-, hydrochloride (1:1)
CID 70563
Propipocaine hydrochloride
CID 70863
Propiophenone, 4'-methoxy-3-morpholino-, hydrochloride
CID 121159
2-(N-Pyrrolidinyl)-3''-methoxypropiophenone
CID 45141808
4-Ethoxy-benzoic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2913384
Merresectine A
CID 11276989
3-(1-Piperidinyl)-1-(4-propan-2-yloxyphenyl)-1-propanone
CID 115936
4-Piperidinol, 1-methyl-, benzoate, hydrochloride
CID 218206
1,3-Dimethyl-4-piperidinyl benzoate hydrochloride
CID 2827004
1-Methylpiperidin-3-YL 2-methoxybenzoate hydrochloride
CID 2911591

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride (CID 2947435) is (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride is COc1cccc(C(=O)OC2CCN(C)CC2)c1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride?
The InChIKey is UMZCGLSGDTZHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c1-15-8-6-12(7-9-15)18-14(16)11-4-3-5-13(10-11)17-2;/h3-5,10,12H,6-9H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 3-methoxybenzoate;hydrochloride?
(1-methylpiperidin-4-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-4-yl) 3-methoxybenzoate;hydrochloride is sourced from PubChem (CID 2947435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).