ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate

C12H24N2O2 — CID 114500523

IUPACethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCNCC1C
InChIInChI=1S/C12H24N2O2/c1-5-16-11(15)12(14-9(2)3)6-7-13-8-10(12)4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyLCVHIZLSZSXLLH-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds4

About ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate

ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate (PubChem CID 114500523) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
PubChem CID114500523
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCNCC1C
InChIInChI=1S/C12H24N2O2/c1-5-16-11(15)12(14-9(2)3)6-7-13-8-10(12)4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyLCVHIZLSZSXLLH-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 114509056
ethyl 4-(2-bromoanilino)-3-methylpiperidine-4-carboxylate
CID 114500563
4-(ethylamino)-3-methylpiperidine-4-carboxamide
CID 114499589
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
CID 114502131
ethyl 2-methyl-1-(methylamino)cyclopentane-1-carboxylate
CID 65045182
ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114509075
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
CID 114502124
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
ethyl 1-(cyclopropylamino)-2-methylcyclopentane-1-carboxylate
CID 65045290
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate
CID 114502128
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate (CID 114500523) is ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate is CCOC(=O)C1(NC(C)C)CCNCC1C.
What is the InChIKey of ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The InChIKey is LCVHIZLSZSXLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-11(15)12(14-9(2)3)6-7-13-8-10(12)4/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate is sourced from PubChem (CID 114500523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).