ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate

C18H35NO2 — CID 114866823

IUPACethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate
SMILESCCOC(=O)CC(CC(C)C)(CC(C)C)N1CCCCC1
InChIInChI=1S/C18H35NO2/c1-6-21-17(20)14-18(12-15(2)3,13-16(4)5)19-10-8-7-9-11-19/h15-16H,6-14H2,1-5H3
InChIKeyZRXZMSYWNRJSMC-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.26
Rot. Bonds8

About ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate

ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate (PubChem CID 114866823) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate
PubChem CID114866823
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Nameethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate
SMILESCCOC(=O)CC(CC(C)C)(CC(C)C)N1CCCCC1
InChIInChI=1S/C18H35NO2/c1-6-21-17(20)14-18(12-15(2)3,13-16(4)5)19-10-8-7-9-11-19/h15-16H,6-14H2,1-5H3
InChIKeyZRXZMSYWNRJSMC-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate?
The IUPAC name of ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate (CID 114866823) is ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate.
What is the SMILES notation for ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate?
The canonical SMILES for ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate is CCOC(=O)CC(CC(C)C)(CC(C)C)N1CCCCC1.
What is the InChIKey of ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate?
The InChIKey is ZRXZMSYWNRJSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-21-17(20)14-18(12-15(2)3,13-16(4)5)19-10-8-7-9-11-19/h15-16H,6-14H2,1-5H3.
What are the key properties of ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate?
ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate has a molecular weight of 297.48 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(2-methylpropyl)-3-piperidin-1-ylhexanoate is sourced from PubChem (CID 114866823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).