1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole

C20H30N2O — CID 22989591

IUPAC1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole
SMILESCCCOCC1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C20H30N2O/c1-2-16-23-17-18-8-13-21(14-9-18)11-5-12-22-15-10-19-6-3-4-7-20(19)22/h3-4,6-7,10,15,18H,2,5,8-9,11-14,16-17H2,1H3
InChIKeyRQTHXSNHJPPRBJ-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.17
Rot. Bonds8

About 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole

1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole (PubChem CID 22989591) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole.

Molecular Properties

Compound Name1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole
PubChem CID22989591
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole
SMILESCCCOCC1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C20H30N2O/c1-2-16-23-17-18-8-13-21(14-9-18)11-5-12-22-15-10-19-6-3-4-7-20(19)22/h3-4,6-7,10,15,18H,2,5,8-9,11-14,16-17H2,1H3
InChIKeyRQTHXSNHJPPRBJ-UHFFFAOYSA-N
XLogP4.17
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole?
The IUPAC name of 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole (CID 22989591) is 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole.
What is the SMILES notation for 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole?
The canonical SMILES for 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole is CCCOCC1CCN(CCCn2ccc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole?
The InChIKey is RQTHXSNHJPPRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-16-23-17-18-8-13-21(14-9-18)11-5-12-22-15-10-19-6-3-4-7-20(19)22/h3-4,6-7,10,15,18H,2,5,8-9,11-14,16-17H2,1H3.
What are the key properties of 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole?
1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole has a molecular weight of 314.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(propoxymethyl)piperidin-1-yl]propyl]indole is sourced from PubChem (CID 22989591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).