1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole

C19H28N2 — CID 132510881

IUPAC1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole
SMILESCCCCn1cc(CN2CCCCC2)c2cc(C)ccc21
InChIInChI=1S/C19H28N2/c1-3-4-12-21-15-17(14-20-10-6-5-7-11-20)18-13-16(2)8-9-19(18)21/h8-9,13,15H,3-7,10-12,14H2,1-2H3
InChIKeyRPRFSYJRPDXQFI-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.74
Rot. Bonds5

About 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole

1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole (PubChem CID 132510881) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole
PubChem CID132510881
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole
SMILESCCCCn1cc(CN2CCCCC2)c2cc(C)ccc21
InChIInChI=1S/C19H28N2/c1-3-4-12-21-15-17(14-20-10-6-5-7-11-20)18-13-16(2)8-9-19(18)21/h8-9,13,15H,3-7,10-12,14H2,1-2H3
InChIKeyRPRFSYJRPDXQFI-UHFFFAOYSA-N
XLogP4.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole?
The IUPAC name of 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole (CID 132510881) is 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole.
What is the SMILES notation for 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole?
The canonical SMILES for 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole is CCCCn1cc(CN2CCCCC2)c2cc(C)ccc21.
What is the InChIKey of 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole?
The InChIKey is RPRFSYJRPDXQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-4-12-21-15-17(14-20-10-6-5-7-11-20)18-13-16(2)8-9-19(18)21/h8-9,13,15H,3-7,10-12,14H2,1-2H3.
What are the key properties of 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole?
1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole has a molecular weight of 284.45 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole is sourced from PubChem (CID 132510881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).