6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole

C17H26N2O — CID 115074698

IUPAC6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
SMILESCC(C)N1CCC(C)(Oc2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)19-10-7-17(3,8-11-19)20-15-5-4-14-6-9-18-16(14)12-15/h4-5,12-13,18H,6-11H2,1-3H3
InChIKeyJUBHEXTXVVUXFV-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds3

About 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole

6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole (PubChem CID 115074698) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
PubChem CID115074698
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
SMILESCC(C)N1CCC(C)(Oc2ccc3c(c2)NCC3)CC1
InChIInChI=1S/C17H26N2O/c1-13(2)19-10-7-17(3,8-11-19)20-15-5-4-14-6-9-18-16(14)12-15/h4-5,12-13,18H,6-11H2,1-3H3
InChIKeyJUBHEXTXVVUXFV-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole?
The IUPAC name of 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole (CID 115074698) is 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole is CC(C)N1CCC(C)(Oc2ccc3c(c2)NCC3)CC1.
What is the InChIKey of 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole?
The InChIKey is JUBHEXTXVVUXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19-10-7-17(3,8-11-19)20-15-5-4-14-6-9-18-16(14)12-15/h4-5,12-13,18H,6-11H2,1-3H3.
What are the key properties of 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole?
6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole has a molecular weight of 274.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).