ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate

C15H22N2O2 — CID 43321731

IUPACethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)12-4-6-13(7-5-12)16-14-8-10-17(2)11-9-14/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyMULCSLMUJHGWDR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.37
Rot. Bonds4

About ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate

ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate (PubChem CID 43321731) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
PubChem CID43321731
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)12-4-6-13(7-5-12)16-14-8-10-17(2)11-9-14/h4-7,14,16H,3,8-11H2,1-2H3
InChIKeyMULCSLMUJHGWDR-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
ethyl 4-(thian-4-ylamino)benzoate
CID 43511385
ethyl 4-(1-methylpiperidin-4-yl)oxybenzoate
CID 162773529
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
ethyl 2-amino-5-[(1-methylpyrrolidin-3-yl)amino]benzoate
CID 61465111
ethyl 4-[[(1S,2S)-2-hydroxycyclohexyl]amino]benzoate
CID 56654570
ethyl 4-[(3S)-3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27914302
ethyl 3-bromo-4-[(1-methylpyrrolidin-3-yl)amino]benzoate
CID 62976697
methyl 4-[(1-acetylpiperidin-4-yl)amino]benzoate
CID 43774274
ethyl 4-[[1-[2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]piperidin-4-yl]amino]benzoate
CID 58118271
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate (CID 43321731) is ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate is CCOC(=O)c1ccc(NC2CCN(C)CC2)cc1.
What is the InChIKey of ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate?
The InChIKey is MULCSLMUJHGWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)12-4-6-13(7-5-12)16-14-8-10-17(2)11-9-14/h4-7,14,16H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate?
ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylpiperidin-4-yl)amino]benzoate is sourced from PubChem (CID 43321731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).