ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate

C14H27NO2 — CID 60692789

IUPACethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-17-13(16)12-6-9-15(10-7-12)11-8-14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyQUCIYPGYOCSJOM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds4

About ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate

ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate (PubChem CID 60692789) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate
PubChem CID60692789
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-17-13(16)12-6-9-15(10-7-12)11-8-14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyQUCIYPGYOCSJOM-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate (CID 60692789) is ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate?
The InChIKey is QUCIYPGYOCSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-17-13(16)12-6-9-15(10-7-12)11-8-14(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate?
ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3-dimethylbutyl)piperidine-4-carboxylate is sourced from PubChem (CID 60692789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).