2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate

C18H26N2O2 — CID 70083708

IUPAC2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate
SMILESCC1(C)CN(C(=O)OCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-18(2)14-20(16-9-5-4-8-15(16)18)17(21)22-13-12-19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-14H2,1-2H3
InChIKeyICKOVECOWJYNBT-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.41
Rot. Bonds3

About 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate

2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate (PubChem CID 70083708) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate
PubChem CID70083708
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate
SMILESCC1(C)CN(C(=O)OCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-18(2)14-20(16-9-5-4-8-15(16)18)17(21)22-13-12-19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-14H2,1-2H3
InChIKeyICKOVECOWJYNBT-UHFFFAOYSA-N
XLogP3.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate (CID 70083708) is 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate is CC1(C)CN(C(=O)OCCN2CCCCC2)c2ccccc21.
What is the InChIKey of 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate?
The InChIKey is ICKOVECOWJYNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2)14-20(16-9-5-4-8-15(16)18)17(21)22-13-12-19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-14H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate?
2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 3,3-dimethyl-2H-indole-1-carboxylate is sourced from PubChem (CID 70083708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).