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

C12H24N2O2 — CID 114509056

IUPACmethyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCCC1CNCCC1(NC(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-5-10-8-13-7-6-12(10,11(15)16-4)14-9(2)3/h9-10,13-14H,5-8H2,1-4H3
InChIKeyVTBCKZGOKZDAIS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds4

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

methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate (PubChem CID 114509056) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
PubChem CID114509056
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCCC1CNCCC1(NC(C)C)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-5-10-8-13-7-6-12(10,11(15)16-4)14-9(2)3/h9-10,13-14H,5-8H2,1-4H3
InChIKeyVTBCKZGOKZDAIS-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 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
CID 114509064
ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 114500523
3-ethyl-4-(methylamino)piperidine-4-carboxamide
CID 114508060
ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114509075
5-ethyl-3-azaspiro[5.11]heptadecane
CID 79321032
5-ethyl-3-azaspiro[5.7]tridecane
CID 79321134
4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
CID 114509068
3-ethyl-4-pyrrolidin-1-ylpiperidine-4-carboxylic acid
CID 114510526
ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
CID 114509111
methyl 1-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylate
CID 79570989
ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate
CID 114509125
methyl 2-methyl-3-(propan-2-ylamino)thiane-3-carboxylate
CID 79951445

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate (CID 114509056) is methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate is CCC1CNCCC1(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The InChIKey is VTBCKZGOKZDAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-10-8-13-7-6-12(10,11(15)16-4)14-9(2)3/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
methyl 3-ethyl-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 methyl 3-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate is sourced from PubChem (CID 114509056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).