ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate

C15H28N2O3 — CID 103802384

IUPACethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2(CCOC)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-3-20-14(18)17-9-4-13(5-10-17)16-12-15(6-7-15)8-11-19-2/h13,16H,3-12H2,1-2H3
InChIKeyRWDMLRZEQKCLMF-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds7

About ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate

ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate (PubChem CID 103802384) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
PubChem CID103802384
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2(CCOC)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-3-20-14(18)17-9-4-13(5-10-17)16-12-15(6-7-15)8-11-19-2/h13,16H,3-12H2,1-2H3
InChIKeyRWDMLRZEQKCLMF-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-1-ylpropyl N-(3,3-dimethylbutan-2-yl)carbamate
CID 44352410
tert-Butyl 1-amino-6-azaspiro(2.5)octane-6-carboxylate
CID 67129588
Ethyl 4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-1-piperidinecarboxylate
CID 24154035
Tert-butyl 8-(methylamino)-5-azaspiro[2.5]octane-5-carboxylate
CID 83912605
4-Amino-3,3-dimethyl-piperidine-1-carboxylic acid ethyl ester
CID 10171324
4-Carbethoxyamino-3,3-dimethylpiperidine
CID 10214458
Cyclopropylmethyl-4-amino-1-piperidine carboxylate
CID 17952624
Butyl 4-(methylamino)piperidine-1-carboxylate
CID 17976076
butyl N-piperidin-4-yl-N-propylcarbamate
CID 18677750
2-(1,2,3,4-tetramethylpiperidin-3-yl)ethyl N-ethylcarbamate
CID 19097466
1-Carbethoxy-4-cyclopropylamino-3-ethylpiperidine
CID 22278889
1-Carbethoxy4-cyclopropylamino-3-methylpiperidine
CID 22278896

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate (CID 103802384) is ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC2(CCOC)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate?
The InChIKey is RWDMLRZEQKCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-20-14(18)17-9-4-13(5-10-17)16-12-15(6-7-15)8-11-19-2/h13,16H,3-12H2,1-2H3.
What are the key properties of ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate?
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103802384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).