ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate

C13H26N2O2 — CID 60787165

IUPACethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCN(CC)CC1
InChIInChI=1S/C13H26N2O2/c1-5-15-9-7-13(8-10-15,14-11(3)4)12(16)17-6-2/h11,14H,5-10H2,1-4H3
InChIKeyBFCJUFBJFMCJPX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds5

About ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate

ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate (PubChem CID 60787165) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
PubChem CID60787165
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCN(CC)CC1
InChIInChI=1S/C13H26N2O2/c1-5-15-9-7-13(8-10-15,14-11(3)4)12(16)17-6-2/h11,14H,5-10H2,1-4H3
InChIKeyBFCJUFBJFMCJPX-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
CID 43754265
ethyl 4-(butan-2-ylamino)-1-propylazepane-4-carboxylate
CID 65076013
1-ethyl-4-(propan-2-ylamino)azepane-4-carboxylic acid
CID 65075898
ethyl 4-methyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65084789
ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
CID 65075658
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
ethyl 4-tert-butyl-1-(propan-2-ylamino)cycloheptane-1-carboxylate
CID 65094919
methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
CID 62393991
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108
ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467706
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
CID 141202232
4-(propan-2-ylamino)-1-propylpiperidine-4-carboxylic acid
CID 43754204

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate (CID 60787165) is ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate is CCOC(=O)C1(NC(C)C)CCN(CC)CC1.
What is the InChIKey of ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
The InChIKey is BFCJUFBJFMCJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-15-9-7-13(8-10-15,14-11(3)4)12(16)17-6-2/h11,14H,5-10H2,1-4H3.
What are the key properties of ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate?
ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylate is sourced from PubChem (CID 60787165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).