1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole

C20H28N2O2 — CID 126952123

IUPAC1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
SMILESCn1ccc2c(OC3CCN(CC4CCCOC4)CC3)cccc21
InChIInChI=1S/C20H28N2O2/c1-21-10-9-18-19(21)5-2-6-20(18)24-17-7-11-22(12-8-17)14-16-4-3-13-23-15-16/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3
InChIKeyMOQBRPMWHKBZLC-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.45
Rot. Bonds4

About 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole

1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole (PubChem CID 126952123) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole.

Molecular Properties

Compound Name1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
PubChem CID126952123
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole
SMILESCn1ccc2c(OC3CCN(CC4CCCOC4)CC3)cccc21
InChIInChI=1S/C20H28N2O2/c1-21-10-9-18-19(21)5-2-6-20(18)24-17-7-11-22(12-8-17)14-16-4-3-13-23-15-16/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3
InChIKeyMOQBRPMWHKBZLC-UHFFFAOYSA-N
XLogP3.45
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pindolol
CID 4828
(-)-Pindolol
CID 688095
4-Methoxy-1H-indole
CID 138363
Ass234
CID 53378764
(3-(2-(diethylamino)ethyl)-1H-indol-4-yl) acetate
CID 24801867
4-(phenylmethoxy)-1H-indole
CID 88465
N-Methyl-5-benzyloxyindole
CID 259196
O-Acetylpsilocin
CID 15429212
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((3-methyl-1H-indol-4-yl)oxy)-, monohydrochloride
CID 3072986
7-Benzyloxyquinoline
CID 3035604
1H-Indole-3-ethanamine, 4-methoxy-
CID 19219
Benzyl-[2-(1H-indol-4-yloxy)-ethyl]-amine
CID 9838216

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
The IUPAC name of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole (CID 126952123) is 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole.
What is the SMILES notation for 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
The canonical SMILES for 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole is Cn1ccc2c(OC3CCN(CC4CCCOC4)CC3)cccc21.
What is the InChIKey of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
The InChIKey is MOQBRPMWHKBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-21-10-9-18-19(21)5-2-6-20(18)24-17-7-11-22(12-8-17)14-16-4-3-13-23-15-16/h2,5-6,9-10,16-17H,3-4,7-8,11-15H2,1H3.
What are the key properties of 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole?
1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole has a molecular weight of 328.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(oxan-3-ylmethyl)piperidin-4-yl]oxyindole is sourced from PubChem (CID 126952123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).