methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate

C16H23NO3 — CID 117053576

IUPACmethyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(13-8-10-17(2)11-9-13)20-15-6-4-14(5-7-15)16(18)19-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBACRWXPBINPBHC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.58
Rot. Bonds4

About methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate

methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate (PubChem CID 117053576) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate
PubChem CID117053576
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C16H23NO3/c1-12(13-8-10-17(2)11-9-13)20-15-6-4-14(5-7-15)16(18)19-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBACRWXPBINPBHC-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
CID 60627945
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527
methyl 2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetate
CID 117054282
2-(4-acetylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 91149656
methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
CID 155173763
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
methyl 4-[(2S)-pent-4-en-2-yl]oxybenzoate
CID 58407547
methyl 4-(1-cyanopropoxy)benzoate
CID 65019391
propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529
2-[2-[1-(1-methylpiperidin-4-yl)ethoxy]phenyl]acetic acid
CID 117094856

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate?
The IUPAC name of methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate (CID 117053576) is methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate?
The canonical SMILES for methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate is COC(=O)c1ccc(OC(C)C2CCN(C)CC2)cc1.
What is the InChIKey of methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate?
The InChIKey is BACRWXPBINPBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(13-8-10-17(2)11-9-13)20-15-6-4-14(5-7-15)16(18)19-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate?
methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate is sourced from PubChem (CID 117053576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).