1-(2-piperidin-1-ylethyl)-5-propoxyindole

C18H26N2O — CID 116625548

IUPAC1-(2-piperidin-1-ylethyl)-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CCN2CCCCC2)c1
InChIInChI=1S/C18H26N2O/c1-2-14-21-17-6-7-18-16(15-17)8-11-20(18)13-12-19-9-4-3-5-10-19/h6-8,11,15H,2-5,9-10,12-14H2,1H3
InChIKeyXNFYYQJDESOWFD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds6

About 1-(2-piperidin-1-ylethyl)-5-propoxyindole

1-(2-piperidin-1-ylethyl)-5-propoxyindole (PubChem CID 116625548) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-5-propoxyindole.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-5-propoxyindole
PubChem CID116625548
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(2-piperidin-1-ylethyl)-5-propoxyindole
SMILESCCCOc1ccc2c(ccn2CCN2CCCCC2)c1
InChIInChI=1S/C18H26N2O/c1-2-14-21-17-6-7-18-16(15-17)8-11-20(18)13-12-19-9-4-3-5-10-19/h6-8,11,15H,2-5,9-10,12-14H2,1H3
InChIKeyXNFYYQJDESOWFD-UHFFFAOYSA-N
XLogP3.92
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
1-(2-piperidin-1-ylethyl)-5-(trifluoromethoxy)indole
CID 154694215
N-[2-(5-propoxyindol-1-yl)ethyl]butan-2-amine
CID 80643035
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
N-[2-(5-propoxyindol-1-yl)ethyl]pentan-3-amine
CID 80649420
1-[2-(1,3-dioxan-2-yl)ethyl]-5-propoxyindole
CID 80649263
1-[(3-methoxyphenyl)methyl]-5-(2-piperidin-1-ylethoxy)indole
CID 175357552
1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole
CID 141113079
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
N-methyl-4-(5-propoxyindol-1-yl)butanamide
CID 116625559

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-5-propoxyindole?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-5-propoxyindole (CID 116625548) is 1-(2-piperidin-1-ylethyl)-5-propoxyindole.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-5-propoxyindole?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-5-propoxyindole is CCCOc1ccc2c(ccn2CCN2CCCCC2)c1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-5-propoxyindole?
The InChIKey is XNFYYQJDESOWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-14-21-17-6-7-18-16(15-17)8-11-20(18)13-12-19-9-4-3-5-10-19/h6-8,11,15H,2-5,9-10,12-14H2,1H3.
What are the key properties of 1-(2-piperidin-1-ylethyl)-5-propoxyindole?
1-(2-piperidin-1-ylethyl)-5-propoxyindole has a molecular weight of 286.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-5-propoxyindole is sourced from PubChem (CID 116625548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).