2-ethylhexyl 3-propylpiperidine-3-carboxylate

C17H33NO2 — CID 63540459

IUPAC2-ethylhexyl 3-propylpiperidine-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C17H33NO2/c1-4-7-9-15(6-3)13-20-16(19)17(10-5-2)11-8-12-18-14-17/h15,18H,4-14H2,1-3H3
InChIKeyOKGNKDMWWZESCJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.92
Rot. Bonds9

About 2-ethylhexyl 3-propylpiperidine-3-carboxylate

2-ethylhexyl 3-propylpiperidine-3-carboxylate (PubChem CID 63540459) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-ethylhexyl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 3-propylpiperidine-3-carboxylate
PubChem CID63540459
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-ethylhexyl 3-propylpiperidine-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C17H33NO2/c1-4-7-9-15(6-3)13-20-16(19)17(10-5-2)11-8-12-18-14-17/h15,18H,4-14H2,1-3H3
InChIKeyOKGNKDMWWZESCJ-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
2-ethylhexyl 2-propylpyrrolidine-2-carboxylate
CID 106978103
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 63708179
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
1-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)cyclohexane-1-carboxylic acid
CID 175142682
3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
CID 116569712
methyl 3-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63130841
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-propylpiperidine-3-carboxylate?
The IUPAC name of 2-ethylhexyl 3-propylpiperidine-3-carboxylate (CID 63540459) is 2-ethylhexyl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for 2-ethylhexyl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for 2-ethylhexyl 3-propylpiperidine-3-carboxylate is CCCCC(CC)COC(=O)C1(CCC)CCCNC1.
What is the InChIKey of 2-ethylhexyl 3-propylpiperidine-3-carboxylate?
The InChIKey is OKGNKDMWWZESCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-7-9-15(6-3)13-20-16(19)17(10-5-2)11-8-12-18-14-17/h15,18H,4-14H2,1-3H3.
What are the key properties of 2-ethylhexyl 3-propylpiperidine-3-carboxylate?
2-ethylhexyl 3-propylpiperidine-3-carboxylate has a molecular weight of 283.46 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 63540459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).