methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate

C15H22N2O3 — CID 169094237

IUPACmethyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate
SMILESCCOc1cc(N2CCC(C(=O)OC)CC2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-3-20-14-10-12(4-5-13(14)16)17-8-6-11(7-9-17)15(18)19-2/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyVLYRZTYXMNCKEF-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.06
Rot. Bonds4

About methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate

methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate (PubChem CID 169094237) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate
PubChem CID169094237
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate
SMILESCCOc1cc(N2CCC(C(=O)OC)CC2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-3-20-14-10-12(4-5-13(14)16)17-8-6-11(7-9-17)15(18)19-2/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyVLYRZTYXMNCKEF-UHFFFAOYSA-N
XLogP2.06
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236646
1-(4-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
CID 81097075
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
methyl 1-(3-chloro-4-methylphenyl)piperidine-4-carboxylate
CID 117028048
methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate
CID 59023366
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-ethoxyaniline
CID 79932420
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
2-ethoxy-4-[4-(2-methylsulfonylethyl)piperazin-1-yl]aniline
CID 66649743
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate (CID 169094237) is methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate is CCOc1cc(N2CCC(C(=O)OC)CC2)ccc1N.
What is the InChIKey of methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate?
The InChIKey is VLYRZTYXMNCKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-14-10-12(4-5-13(14)16)17-8-6-11(7-9-17)15(18)19-2/h4-5,10-11H,3,6-9,16H2,1-2H3.
What are the key properties of methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate?
methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 169094237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).