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

C18H26N2O — CID 22989675

IUPAC1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole
SMILESCOCC1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-21-15-16-7-12-19(13-8-16)10-4-11-20-14-9-17-5-2-3-6-18(17)20/h2-3,5-6,9,14,16H,4,7-8,10-13,15H2,1H3
InChIKeyNTAIIMNHFXUGSN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.39
Rot. Bonds6

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

1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole (PubChem CID 22989675) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole.

Molecular Properties

Compound Name1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole
PubChem CID22989675
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole
SMILESCOCC1CCN(CCCn2ccc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-21-15-16-7-12-19(13-8-16)10-4-11-20-14-9-17-5-2-3-6-18(17)20/h2-3,5-6,9,14,16H,4,7-8,10-13,15H2,1H3
InChIKeyNTAIIMNHFXUGSN-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole?
The IUPAC name of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole (CID 22989675) is 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole.
What is the SMILES notation for 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole?
The canonical SMILES for 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole is COCC1CCN(CCCn2ccc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole?
The InChIKey is NTAIIMNHFXUGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-21-15-16-7-12-19(13-8-16)10-4-11-20-14-9-17-5-2-3-6-18(17)20/h2-3,5-6,9,14,16H,4,7-8,10-13,15H2,1H3.
What are the key properties of 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole?
1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole has a molecular weight of 286.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(methoxymethyl)piperidin-1-yl]propyl]indole is sourced from PubChem (CID 22989675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).