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

C14H27NO2 — CID 78915222

IUPACethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-17-13(16)12-8-6-7-10-15(12)11-9-14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyPZSOKJGTJFEYIS-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds4

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

ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate (PubChem CID 78915222) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
PubChem CID78915222
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-5-17-13(16)12-8-6-7-10-15(12)11-9-14(2,3)4/h12H,5-11H2,1-4H3
InChIKeyPZSOKJGTJFEYIS-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-[2-(bromomethyl)-2-ethylbutyl]piperidine-2-carboxylate
CID 115539021
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(3-chloro-2-hydroxypropyl)piperidine-2-carboxylate
CID 112561825

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate (CID 78915222) is ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CCC(C)(C)C.
What is the InChIKey of ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate?
The InChIKey is PZSOKJGTJFEYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-17-13(16)12-8-6-7-10-15(12)11-9-14(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate?
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.84, 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-2-carboxylate is sourced from PubChem (CID 78915222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).