ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate

C17H26N2O2 — CID 81318643

IUPACethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2c(C)cccc2C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)19-10-8-15(9-11-19)18-12-16-13(2)6-5-7-14(16)3/h5-7,15,18H,4,8-12H2,1-3H3
InChIKeyMWHNSZJPDATFGM-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.01
Rot. Bonds4

About ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate

ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate (PubChem CID 81318643) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
PubChem CID81318643
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2c(C)cccc2C)CC1
InChIInChI=1S/C17H26N2O2/c1-4-21-17(20)19-10-8-15(9-11-19)18-12-16-13(2)6-5-7-14(16)3/h5-7,15,18H,4,8-12H2,1-3H3
InChIKeyMWHNSZJPDATFGM-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
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ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028940
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
ethyl 4-[(2,4-dimethyl-1H-indole-3-carbonyl)amino]piperidine-1-carboxylate
CID 110853878
ethyl 4-(2-methyl-6-nitroanilino)piperidine-1-carboxylate
CID 22380652
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate (CID 81318643) is ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2c(C)cccc2C)CC1.
What is the InChIKey of ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate?
The InChIKey is MWHNSZJPDATFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-17(20)19-10-8-15(9-11-19)18-12-16-13(2)6-5-7-14(16)3/h5-7,15,18H,4,8-12H2,1-3H3.
What are the key properties of ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 81318643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).