3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole

C17H24N2 — CID 24839561

IUPAC3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCCC1CCC(C)N(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H24N2/c1-3-14-9-8-13(2)19(11-14)12-15-10-18-17-7-5-4-6-16(15)17/h4-7,10,13-14,18H,3,8-9,11-12H2,1-2H3
InChIKeyKDWSFUJGKRUSCD-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.18
Rot. Bonds3

About 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole

3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole (PubChem CID 24839561) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole
PubChem CID24839561
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole
SMILESCCC1CCC(C)N(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H24N2/c1-3-14-9-8-13(2)19(11-14)12-15-10-18-17-7-5-4-6-16(15)17/h4-7,10,13-14,18H,3,8-9,11-12H2,1-2H3
InChIKeyKDWSFUJGKRUSCD-UHFFFAOYSA-N
XLogP4.18
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[(2R)-2-ethylpiperidin-1-yl]methyl]-1H-indole
CID 730166
[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methanol
CID 43817859
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
3-ethyl-1H-indole;methanamine
CID 142222050
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
(3aS,6aR)-2-(1H-indol-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126404
3-heptyl-1H-indole
CID 15360907
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 674171

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole (CID 24839561) is 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole is CCC1CCC(C)N(Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole?
The InChIKey is KDWSFUJGKRUSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-14-9-8-13(2)19(11-14)12-15-10-18-17-7-5-4-6-16(15)17/h4-7,10,13-14,18H,3,8-9,11-12H2,1-2H3.
What are the key properties of 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole?
3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole has a molecular weight of 256.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2-methylpiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 24839561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).