3,4,6-trimethyl-2-piperidin-4-yl-1H-indole

C16H22N2 — CID 84630546

IUPAC3,4,6-trimethyl-2-piperidin-4-yl-1H-indole
SMILESCc1cc(C)c2c(C)c(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C16H22N2/c1-10-8-11(2)15-12(3)16(18-14(15)9-10)13-4-6-17-7-5-13/h8-9,13,17-18H,4-7H2,1-3H3
InChIKeyJYAGCCPRCKIKLP-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.56
Rot. Bonds1

About 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole

3,4,6-trimethyl-2-piperidin-4-yl-1H-indole (PubChem CID 84630546) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name3,4,6-trimethyl-2-piperidin-4-yl-1H-indole
PubChem CID84630546
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3,4,6-trimethyl-2-piperidin-4-yl-1H-indole
SMILESCc1cc(C)c2c(C)c(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C16H22N2/c1-10-8-11(2)15-12(3)16(18-14(15)9-10)13-4-6-17-7-5-13/h8-9,13,17-18H,4-7H2,1-3H3
InChIKeyJYAGCCPRCKIKLP-UHFFFAOYSA-N
XLogP3.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole?
The IUPAC name of 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole (CID 84630546) is 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole.
What is the SMILES notation for 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole?
The canonical SMILES for 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole is Cc1cc(C)c2c(C)c(C3CCNCC3)[nH]c2c1.
What is the InChIKey of 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole?
The InChIKey is JYAGCCPRCKIKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-8-11(2)15-12(3)16(18-14(15)9-10)13-4-6-17-7-5-13/h8-9,13,17-18H,4-7H2,1-3H3.
What are the key properties of 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole?
3,4,6-trimethyl-2-piperidin-4-yl-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2-piperidin-4-yl-1H-indole is sourced from PubChem (CID 84630546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).