1,3,7-trimethyl-2-piperidin-4-ylindole

C16H22N2 — CID 84630479

IUPAC1,3,7-trimethyl-2-piperidin-4-ylindole
SMILESCc1c(C2CCNCC2)n(C)c2c(C)cccc12
InChIInChI=1S/C16H22N2/c1-11-5-4-6-14-12(2)16(18(3)15(11)14)13-7-9-17-10-8-13/h4-6,13,17H,7-10H2,1-3H3
InChIKeyTXCPWJOXBGVUQE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.26
Rot. Bonds1

About 1,3,7-trimethyl-2-piperidin-4-ylindole

1,3,7-trimethyl-2-piperidin-4-ylindole (PubChem CID 84630479) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,3,7-trimethyl-2-piperidin-4-ylindole.

Molecular Properties

Compound Name1,3,7-trimethyl-2-piperidin-4-ylindole
PubChem CID84630479
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1,3,7-trimethyl-2-piperidin-4-ylindole
SMILESCc1c(C2CCNCC2)n(C)c2c(C)cccc12
InChIInChI=1S/C16H22N2/c1-11-5-4-6-14-12(2)16(18(3)15(11)14)13-7-9-17-10-8-13/h4-6,13,17H,7-10H2,1-3H3
InChIKeyTXCPWJOXBGVUQE-UHFFFAOYSA-N
XLogP3.26
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-2-piperidin-4-ylindole?
The IUPAC name of 1,3,7-trimethyl-2-piperidin-4-ylindole (CID 84630479) is 1,3,7-trimethyl-2-piperidin-4-ylindole.
What is the SMILES notation for 1,3,7-trimethyl-2-piperidin-4-ylindole?
The canonical SMILES for 1,3,7-trimethyl-2-piperidin-4-ylindole is Cc1c(C2CCNCC2)n(C)c2c(C)cccc12.
What is the InChIKey of 1,3,7-trimethyl-2-piperidin-4-ylindole?
The InChIKey is TXCPWJOXBGVUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11-5-4-6-14-12(2)16(18(3)15(11)14)13-7-9-17-10-8-13/h4-6,13,17H,7-10H2,1-3H3.
What are the key properties of 1,3,7-trimethyl-2-piperidin-4-ylindole?
1,3,7-trimethyl-2-piperidin-4-ylindole has a molecular weight of 242.37 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-2-piperidin-4-ylindole is sourced from PubChem (CID 84630479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).