6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole

C17H24N2 — CID 22732015

IUPAC6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole
SMILESCC(C)n1ccc2ccc(C3CCN(C)CC3)cc21
InChIInChI=1S/C17H24N2/c1-13(2)19-11-8-15-4-5-16(12-17(15)19)14-6-9-18(3)10-7-14/h4-5,8,11-14H,6-7,9-10H2,1-3H3
InChIKeyZPDDGUFMFHJCJB-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.03
Rot. Bonds2

About 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole

6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole (PubChem CID 22732015) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole
PubChem CID22732015
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole
SMILESCC(C)n1ccc2ccc(C3CCN(C)CC3)cc21
InChIInChI=1S/C17H24N2/c1-13(2)19-11-8-15-4-5-16(12-17(15)19)14-6-9-18(3)10-7-14/h4-5,8,11-14H,6-7,9-10H2,1-3H3
InChIKeyZPDDGUFMFHJCJB-UHFFFAOYSA-N
XLogP4.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole?
The IUPAC name of 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole (CID 22732015) is 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole is CC(C)n1ccc2ccc(C3CCN(C)CC3)cc21.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole?
The InChIKey is ZPDDGUFMFHJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)19-11-8-15-4-5-16(12-17(15)19)14-6-9-18(3)10-7-14/h4-5,8,11-14H,6-7,9-10H2,1-3H3.
What are the key properties of 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole?
6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole has a molecular weight of 256.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)-1-propan-2-ylindole is sourced from PubChem (CID 22732015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).