1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole

C18H26N2 — CID 161025341

IUPAC1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C18H26N2/c1-14(2)17-13-19(3)18-8-7-15(11-16(17)18)12-20-9-5-4-6-10-20/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyHCHPKSKGCSRZOW-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.29
Rot. Bonds3

About 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole

1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole (PubChem CID 161025341) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole.

Molecular Properties

Compound Name1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole
PubChem CID161025341
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole
SMILESCC(C)c1cn(C)c2ccc(CN3CCCCC3)cc12
InChIInChI=1S/C18H26N2/c1-14(2)17-13-19(3)18-8-7-15(11-16(17)18)12-20-9-5-4-6-10-20/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3
InChIKeyHCHPKSKGCSRZOW-UHFFFAOYSA-N
XLogP4.29
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-propan-2-yl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 170587450
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
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1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
5-(azepan-1-ylmethyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 135197011
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
3-(5-ethyl-1-methylindol-3-yl)butanoic acid
CID 82278686
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
1-[(4-methylphenyl)methyl]azepane
CID 3951815
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole?
The IUPAC name of 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole (CID 161025341) is 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole.
What is the SMILES notation for 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole?
The canonical SMILES for 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole is CC(C)c1cn(C)c2ccc(CN3CCCCC3)cc12.
What is the InChIKey of 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole?
The InChIKey is HCHPKSKGCSRZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14(2)17-13-19(3)18-8-7-15(11-16(17)18)12-20-9-5-4-6-10-20/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole?
1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole has a molecular weight of 270.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(piperidin-1-ylmethyl)-3-propan-2-ylindole is sourced from PubChem (CID 161025341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).