ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate

C13H26N2O2 — CID 83995011

IUPACethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(NCC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-17-12(16)15-8-6-7-11(9-15)14-10-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyQAAVFQNPYYZMTO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds3

About ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate

ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate (PubChem CID 83995011) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate
PubChem CID83995011
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(NCC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-5-17-12(16)15-8-6-7-11(9-15)14-10-13(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyQAAVFQNPYYZMTO-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2,2,2-trifluoroethyl 3-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 61066497
ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
CID 142212446
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate
CID 103948891
3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992254
butyl 3-(methylamino)piperidine-1-carboxylate
CID 175723002
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate
CID 172535316

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate (CID 83995011) is ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate is CCOC(=O)N1CCCC(NCC(C)(C)C)C1.
What is the InChIKey of ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate?
The InChIKey is QAAVFQNPYYZMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-17-12(16)15-8-6-7-11(9-15)14-10-13(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate?
ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,2-dimethylpropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83995011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).