5-methyl-3-(piperidin-4-ylmethyl)-1H-indole

C15H20N2 — CID 82494836

IUPAC5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C15H20N2/c1-11-2-3-15-14(8-11)13(10-17-15)9-12-4-6-16-7-5-12/h2-3,8,10,12,16-17H,4-7,9H2,1H3
InChIKeyZLJWZDPOWYHJOF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.02
Rot. Bonds2

About 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole

5-methyl-3-(piperidin-4-ylmethyl)-1H-indole (PubChem CID 82494836) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
PubChem CID82494836
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
SMILESCc1ccc2[nH]cc(CC3CCNCC3)c2c1
InChIInChI=1S/C15H20N2/c1-11-2-3-15-14(8-11)13(10-17-15)9-12-4-6-16-7-5-12/h2-3,8,10,12,16-17H,4-7,9H2,1H3
InChIKeyZLJWZDPOWYHJOF-UHFFFAOYSA-N
XLogP3.02
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 18965344
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
CID 84630302
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
3-bromo-5-(piperidin-4-ylmethyl)-1H-indole
CID 84815091
6-methyl-3-(piperidin-4-ylmethyl)-1H-quinolin-2-one
CID 84635994
(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 121403174
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
CID 19848863
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
The IUPAC name of 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole (CID 82494836) is 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole.
What is the SMILES notation for 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
The canonical SMILES for 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole is Cc1ccc2[nH]cc(CC3CCNCC3)c2c1.
What is the InChIKey of 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
The InChIKey is ZLJWZDPOWYHJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-2-3-15-14(8-11)13(10-17-15)9-12-4-6-16-7-5-12/h2-3,8,10,12,16-17H,4-7,9H2,1H3.
What are the key properties of 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole?
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole has a molecular weight of 228.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(piperidin-4-ylmethyl)-1H-indole is sourced from PubChem (CID 82494836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).