5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole

C18H24N2 — CID 174663765

IUPAC5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole
SMILESCC=Cn1cc(CN2CCCCC2)c2cc(C)ccc21
InChIInChI=1S/C18H24N2/c1-3-9-20-14-16(13-19-10-5-4-6-11-19)17-12-15(2)7-8-18(17)20/h3,7-9,12,14H,4-6,10-11,13H2,1-2H3
InChIKeyKSDWELYTBRNHEO-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.43
Rot. Bonds3

About 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole

5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole (PubChem CID 174663765) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole.

Molecular Properties

Compound Name5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole
PubChem CID174663765
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole
SMILESCC=Cn1cc(CN2CCCCC2)c2cc(C)ccc21
InChIInChI=1S/C18H24N2/c1-3-9-20-14-16(13-19-10-5-4-6-11-19)17-12-15(2)7-8-18(17)20/h3,7-9,12,14H,4-6,10-11,13H2,1-2H3
InChIKeyKSDWELYTBRNHEO-UHFFFAOYSA-N
XLogP4.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 155559147
1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole
CID 132510881
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718
1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
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3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
CID 117185593
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
1-[(1,5-dimethylindol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 170792929
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole?
The IUPAC name of 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole (CID 174663765) is 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole.
What is the SMILES notation for 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole?
The canonical SMILES for 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole is CC=Cn1cc(CN2CCCCC2)c2cc(C)ccc21.
What is the InChIKey of 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole?
The InChIKey is KSDWELYTBRNHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-9-20-14-16(13-19-10-5-4-6-11-19)17-12-15(2)7-8-18(17)20/h3,7-9,12,14H,4-6,10-11,13H2,1-2H3.
What are the key properties of 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole?
5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole has a molecular weight of 268.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(piperidin-1-ylmethyl)-1-prop-1-enylindole is sourced from PubChem (CID 174663765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).