ethyl 1-butan-2-ylpiperidine-4-carboxylate

C12H23NO2 — CID 62027270

IUPACethyl 1-butan-2-ylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)CC)CC1
InChIInChI=1S/C12H23NO2/c1-4-10(3)13-8-6-11(7-9-13)12(14)15-5-2/h10-11H,4-9H2,1-3H3
InChIKeyHFOYIXYSWIVSBR-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds4

About ethyl 1-butan-2-ylpiperidine-4-carboxylate

ethyl 1-butan-2-ylpiperidine-4-carboxylate (PubChem CID 62027270) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 1-butan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-butan-2-ylpiperidine-4-carboxylate
PubChem CID62027270
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 1-butan-2-ylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)CC)CC1
InChIInChI=1S/C12H23NO2/c1-4-10(3)13-8-6-11(7-9-13)12(14)15-5-2/h10-11H,4-9H2,1-3H3
InChIKeyHFOYIXYSWIVSBR-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252
1-butan-2-ylpiperidine-4-carboxylic acid
CID 43441619
ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
CID 79414013
ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718783
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
1-butan-2-yl-N,N-dimethylpiperidine-4-carboxamide
CID 154662665
ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
CID 23960975
ethyl 1-(2-bromopropanoyl)piperidine-4-carboxylate
CID 103693267

Frequently Asked Questions

What is the IUPAC name of ethyl 1-butan-2-ylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-butan-2-ylpiperidine-4-carboxylate (CID 62027270) is ethyl 1-butan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-butan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-butan-2-ylpiperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)CC)CC1.
What is the InChIKey of ethyl 1-butan-2-ylpiperidine-4-carboxylate?
The InChIKey is HFOYIXYSWIVSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10(3)13-8-6-11(7-9-13)12(14)15-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 1-butan-2-ylpiperidine-4-carboxylate?
ethyl 1-butan-2-ylpiperidine-4-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 62027270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).