2-methylpropyl 3-ethylpiperidine-3-carboxylate

C12H23NO2 — CID 63137680

IUPAC2-methylpropyl 3-ethylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OCC(C)C)CCCNC1
InChIInChI=1S/C12H23NO2/c1-4-12(6-5-7-13-9-12)11(14)15-8-10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyNQOGWNAMDGTPPM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.97
Rot. Bonds4

About 2-methylpropyl 3-ethylpiperidine-3-carboxylate

2-methylpropyl 3-ethylpiperidine-3-carboxylate (PubChem CID 63137680) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methylpropyl 3-ethylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-ethylpiperidine-3-carboxylate
PubChem CID63137680
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methylpropyl 3-ethylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OCC(C)C)CCCNC1
InChIInChI=1S/C12H23NO2/c1-4-12(6-5-7-13-9-12)11(14)15-8-10(2)3/h10,13H,4-9H2,1-3H3
InChIKeyNQOGWNAMDGTPPM-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxyethyl 3-ethylpiperidine-3-carboxylate
CID 63137981
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
4-methylpentyl 3-ethylpyrrolidine-3-carboxylate
CID 63144993
(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
CID 82824680
2-ethylhexyl 3-propylpiperidine-3-carboxylate
CID 63540459
methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
CID 63130798
ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate
CID 63131353
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450
ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate
CID 99868054
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
ethyl (3S)-3-(3-methylbut-2-enyl)piperidine-3-carboxylate
CID 129463338
1-(3-ethylpiperidin-3-yl)-3-methylbut-2-en-1-one
CID 116568733

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-ethylpiperidine-3-carboxylate?
The IUPAC name of 2-methylpropyl 3-ethylpiperidine-3-carboxylate (CID 63137680) is 2-methylpropyl 3-ethylpiperidine-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-ethylpiperidine-3-carboxylate?
The canonical SMILES for 2-methylpropyl 3-ethylpiperidine-3-carboxylate is CCC1(C(=O)OCC(C)C)CCCNC1.
What is the InChIKey of 2-methylpropyl 3-ethylpiperidine-3-carboxylate?
The InChIKey is NQOGWNAMDGTPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(6-5-7-13-9-12)11(14)15-8-10(2)3/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-methylpropyl 3-ethylpiperidine-3-carboxylate?
2-methylpropyl 3-ethylpiperidine-3-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-ethylpiperidine-3-carboxylate is sourced from PubChem (CID 63137680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).