3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole

C16H22N2O — CID 44784869

IUPAC3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole
SMILESc1ccc2c(CCOCC3CCNCC3)c[nH]c2c1
InChIInChI=1S/C16H22N2O/c1-2-4-16-15(3-1)14(11-18-16)7-10-19-12-13-5-8-17-9-6-13/h1-4,11,13,17-18H,5-10,12H2
InChIKeyZQKVNRZIMVGFKM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.73
Rot. Bonds5

About 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole

3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole (PubChem CID 44784869) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole
PubChem CID44784869
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole
SMILESc1ccc2c(CCOCC3CCNCC3)c[nH]c2c1
InChIInChI=1S/C16H22N2O/c1-2-4-16-15(3-1)14(11-18-16)7-10-19-12-13-5-8-17-9-6-13/h1-4,11,13,17-18H,5-10,12H2
InChIKeyZQKVNRZIMVGFKM-UHFFFAOYSA-N
XLogP2.73
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111759670
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium
CID 165088178
3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
CID 102132135
2-(1H-indol-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386648
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111983640
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 164664078

Frequently Asked Questions

What is the IUPAC name of 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole?
The IUPAC name of 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole (CID 44784869) is 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole is c1ccc2c(CCOCC3CCNCC3)c[nH]c2c1.
What is the InChIKey of 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole?
The InChIKey is ZQKVNRZIMVGFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-4-16-15(3-1)14(11-18-16)7-10-19-12-13-5-8-17-9-6-13/h1-4,11,13,17-18H,5-10,12H2.
What are the key properties of 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole?
3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole has a molecular weight of 258.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole is sourced from PubChem (CID 44784869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).