ethyl 2-propan-2-ylpiperidine-3-carboxylate

C11H21NO2 — CID 83855212

IUPACethyl 2-propan-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCNC1C(C)C
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)9-6-5-7-12-10(9)8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyBTGYCQCZSJNREG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds3

About ethyl 2-propan-2-ylpiperidine-3-carboxylate

ethyl 2-propan-2-ylpiperidine-3-carboxylate (PubChem CID 83855212) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-propan-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-propan-2-ylpiperidine-3-carboxylate
PubChem CID83855212
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-propan-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CCCNC1C(C)C
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)9-6-5-7-12-10(9)8(2)3/h8-10,12H,4-7H2,1-3H3
InChIKeyBTGYCQCZSJNREG-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
CID 89296898
ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
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ethyl (2R,3S)-2-(trifluoromethyl)piperidine-3-carboxylate
CID 178202342
ethyl 2-(trifluoromethyl)piperidine-3-carboxylate
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ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate
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trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
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ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 122163643
ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
CID 98010252
ethyl 3-aminoazepane-4-carboxylate
CID 155145528
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
ethyl 2-pyrrolidin-2-ylpropanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-ylpiperidine-3-carboxylate?
The IUPAC name of ethyl 2-propan-2-ylpiperidine-3-carboxylate (CID 83855212) is ethyl 2-propan-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 2-propan-2-ylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 2-propan-2-ylpiperidine-3-carboxylate is CCOC(=O)C1CCCNC1C(C)C.
What is the InChIKey of ethyl 2-propan-2-ylpiperidine-3-carboxylate?
The InChIKey is BTGYCQCZSJNREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-11(13)9-6-5-7-12-10(9)8(2)3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-propan-2-ylpiperidine-3-carboxylate?
ethyl 2-propan-2-ylpiperidine-3-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 83855212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).