ethyl 6-(2-propylpiperidin-1-yl)hexanoate

C16H31NO2 — CID 83055887

IUPACethyl 6-(2-propylpiperidin-1-yl)hexanoate
SMILESCCCC1CCCCN1CCCCCC(=O)OCC
InChIInChI=1S/C16H31NO2/c1-3-10-15-11-7-9-14-17(15)13-8-5-6-12-16(18)19-4-2/h15H,3-14H2,1-2H3
InChIKeyQEDVHLBRWDNVKM-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.76
Rot. Bonds9

About ethyl 6-(2-propylpiperidin-1-yl)hexanoate

ethyl 6-(2-propylpiperidin-1-yl)hexanoate (PubChem CID 83055887) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is ethyl 6-(2-propylpiperidin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-propylpiperidin-1-yl)hexanoate
PubChem CID83055887
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nameethyl 6-(2-propylpiperidin-1-yl)hexanoate
SMILESCCCC1CCCCN1CCCCCC(=O)OCC
InChIInChI=1S/C16H31NO2/c1-3-10-15-11-7-9-14-17(15)13-8-5-6-12-16(18)19-4-2/h15H,3-14H2,1-2H3
InChIKeyQEDVHLBRWDNVKM-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
CID 114337967
ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
1-pentyl-2-propylpiperidine
CID 54429991
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
bis[2-(1-butylpiperidin-2-yl)ethyl] carbonate
CID 57049315
1-decyl-2-propylpiperidine;trifluoromethanesulfonic acid
CID 175874740
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-propylpiperidin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(2-propylpiperidin-1-yl)hexanoate (CID 83055887) is ethyl 6-(2-propylpiperidin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(2-propylpiperidin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(2-propylpiperidin-1-yl)hexanoate is CCCC1CCCCN1CCCCCC(=O)OCC.
What is the InChIKey of ethyl 6-(2-propylpiperidin-1-yl)hexanoate?
The InChIKey is QEDVHLBRWDNVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-10-15-11-7-9-14-17(15)13-8-5-6-12-16(18)19-4-2/h15H,3-14H2,1-2H3.
What are the key properties of ethyl 6-(2-propylpiperidin-1-yl)hexanoate?
ethyl 6-(2-propylpiperidin-1-yl)hexanoate has a molecular weight of 269.43 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-propylpiperidin-1-yl)hexanoate is sourced from PubChem (CID 83055887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).