4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole

C18H26N2 — CID 117184903

IUPAC4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
SMILESCc1cccc2c1cc(CN1CCCCC1)n2C(C)C
InChIInChI=1S/C18H26N2/c1-14(2)20-16(13-19-10-5-4-6-11-19)12-17-15(3)8-7-9-18(17)20/h7-9,12,14H,4-6,10-11,13H2,1-3H3
InChIKeyMXXAIXGWEDFISM-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.52
Rot. Bonds3

About 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole

4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole (PubChem CID 117184903) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole.

Molecular Properties

Compound Name4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
PubChem CID117184903
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
SMILESCc1cccc2c1cc(CN1CCCCC1)n2C(C)C
InChIInChI=1S/C18H26N2/c1-14(2)20-16(13-19-10-5-4-6-11-19)12-17-15(3)8-7-9-18(17)20/h7-9,12,14H,4-6,10-11,13H2,1-3H3
InChIKeyMXXAIXGWEDFISM-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]morpholine
CID 117184909
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-4-amine
CID 117173772
O-[(4-methyl-1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194362
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
2-methyl-1-(4-methyl-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117120348
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
5-chloro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177143
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117177017
1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)indol-7-amine
CID 117184052
1-methyl-2-(piperidin-1-ylmethyl)indol-4-amine
CID 117173126
7-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117186565
7-methyl-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117186562

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
The IUPAC name of 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole (CID 117184903) is 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole.
What is the SMILES notation for 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
The canonical SMILES for 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole is Cc1cccc2c1cc(CN1CCCCC1)n2C(C)C.
What is the InChIKey of 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
The InChIKey is MXXAIXGWEDFISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14(2)20-16(13-19-10-5-4-6-11-19)12-17-15(3)8-7-9-18(17)20/h7-9,12,14H,4-6,10-11,13H2,1-3H3.
What are the key properties of 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole?
4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole has a molecular weight of 270.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole is sourced from PubChem (CID 117184903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).