ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate

C13H26N2O2 — CID 43196751

IUPACethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-17-13(16)15-8-6-12(7-9-15)14-11(4)10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyGTMNWMVIKOYXBS-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds4

About ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate

ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate (PubChem CID 43196751) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
PubChem CID43196751
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-5-17-13(16)15-8-6-12(7-9-15)14-11(4)10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyGTMNWMVIKOYXBS-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
CID 65333122
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
ethyl 4-(1-cyanopropan-2-ylamino)piperidine-1-carboxylate
CID 60913967
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate (CID 43196751) is ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)C(C)C)CC1.
What is the InChIKey of ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is GTMNWMVIKOYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-17-13(16)15-8-6-12(7-9-15)14-11(4)10(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate?
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43196751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).