ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate

C13H26N2O3 — CID 65333122

IUPACethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)C(C)(C)O)CC1
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)15-8-6-11(7-9-15)14-10(2)13(3,4)17/h10-11,14,17H,5-9H2,1-4H3
InChIKeyZROOHBPLVRZWBX-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.36
Rot. Bonds4

About ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate (PubChem CID 65333122) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
PubChem CID65333122
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)C(C)(C)O)CC1
InChIInChI=1S/C13H26N2O3/c1-5-18-12(16)15-8-6-11(7-9-15)14-10(2)13(3,4)17/h10-11,14,17H,5-9H2,1-4H3
InChIKeyZROOHBPLVRZWBX-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
2-[(1-ethoxycarbonylpiperidin-4-yl)amino]butanoic acid
CID 64667745
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485
ethyl 4-(2-bromopropanoylamino)piperidine-1-carboxylate
CID 103693309
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]piperidine-1-carboxylate
CID 43086420
ethyl 4-[(1-hydroxy-4-methylpentan-2-yl)amino]piperidine-1-carboxylate
CID 61246563
ethyl 4-(1-cyanopropan-2-ylamino)piperidine-1-carboxylate
CID 60913967
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate (CID 65333122) is ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)C(C)(C)O)CC1.
What is the InChIKey of ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is ZROOHBPLVRZWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-18-12(16)15-8-6-11(7-9-15)14-10(2)13(3,4)17/h10-11,14,17H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 65333122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).