2-ethylhexyl 2-methylpiperidine-4-carboxylate

C15H29NO2 — CID 106743792

IUPAC2-ethylhexyl 2-methylpiperidine-4-carboxylate
SMILESCCCCC(CC)COC(=O)C1CCNC(C)C1
InChIInChI=1S/C15H29NO2/c1-4-6-7-13(5-2)11-18-15(17)14-8-9-16-12(3)10-14/h12-14,16H,4-11H2,1-3H3
InChIKeyXYRZEPUYWWFBKP-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds7

About 2-ethylhexyl 2-methylpiperidine-4-carboxylate

2-ethylhexyl 2-methylpiperidine-4-carboxylate (PubChem CID 106743792) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethylhexyl 2-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 2-methylpiperidine-4-carboxylate
PubChem CID106743792
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethylhexyl 2-methylpiperidine-4-carboxylate
SMILESCCCCC(CC)COC(=O)C1CCNC(C)C1
InChIInChI=1S/C15H29NO2/c1-4-6-7-13(5-2)11-18-15(17)14-8-9-16-12(3)10-14/h12-14,16H,4-11H2,1-3H3
InChIKeyXYRZEPUYWWFBKP-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpentyl 2-methylpiperidine-4-carboxylate
CID 106743825
tris(2-ethylhexyl) cyclopentane-1,2,4-tricarboxylate
CID 174160323
butyl 2-methylpiperidine-4-carboxylate
CID 106743768
1-O-(2-ethylhexyl) 3-O-hexyl cyclohexane-1,3-dicarboxylate
CID 66984438
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615953
1-O-(2-ethylhexyl) 4-O-propan-2-yl cyclohexane-1,4-dicarboxylate
CID 66984605
2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate
CID 143295957
1-O-(2-butoxyethyl) 4-O-(2-ethylhexyl) cyclohexane-1,4-dicarboxylate
CID 155455065
2-ethylhexyl 4-[(R)-2-ethylhexoxy(hydroxy)methyl]cyclohexane-1-carboxylate
CID 138600539
2-ethylhexyl 3-[2-butoxyethoxy(hydroxy)methyl]cyclohexane-1-carboxylate
CID 155455206
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
3-(2-propylheptoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983836

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-methylpiperidine-4-carboxylate?
The IUPAC name of 2-ethylhexyl 2-methylpiperidine-4-carboxylate (CID 106743792) is 2-ethylhexyl 2-methylpiperidine-4-carboxylate.
What is the SMILES notation for 2-ethylhexyl 2-methylpiperidine-4-carboxylate?
The canonical SMILES for 2-ethylhexyl 2-methylpiperidine-4-carboxylate is CCCCC(CC)COC(=O)C1CCNC(C)C1.
What is the InChIKey of 2-ethylhexyl 2-methylpiperidine-4-carboxylate?
The InChIKey is XYRZEPUYWWFBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-7-13(5-2)11-18-15(17)14-8-9-16-12(3)10-14/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-ethylhexyl 2-methylpiperidine-4-carboxylate?
2-ethylhexyl 2-methylpiperidine-4-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 106743792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).