3,4,7-trimethyl-2-piperidin-3-yl-1H-indole

C16H22N2 — CID 84630586

IUPAC3,4,7-trimethyl-2-piperidin-3-yl-1H-indole
SMILESCc1ccc(C)c2c(C)c(C3CCCNC3)[nH]c12
InChIInChI=1S/C16H22N2/c1-10-6-7-11(2)15-14(10)12(3)16(18-15)13-5-4-8-17-9-13/h6-7,13,17-18H,4-5,8-9H2,1-3H3
InChIKeyDXFSENPEFMZUIX-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.56
Rot. Bonds1

About 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole

3,4,7-trimethyl-2-piperidin-3-yl-1H-indole (PubChem CID 84630586) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name3,4,7-trimethyl-2-piperidin-3-yl-1H-indole
PubChem CID84630586
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3,4,7-trimethyl-2-piperidin-3-yl-1H-indole
SMILESCc1ccc(C)c2c(C)c(C3CCCNC3)[nH]c12
InChIInChI=1S/C16H22N2/c1-10-6-7-11(2)15-14(10)12(3)16(18-15)13-5-4-8-17-9-13/h6-7,13,17-18H,4-5,8-9H2,1-3H3
InChIKeyDXFSENPEFMZUIX-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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Related Compounds

7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole
CID 67536330
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
CID 91174939
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3,4,6-trimethyl-2-pyrrolidin-3-yl-1H-indole
CID 84625643
(3R)-3-(3-methylthiophen-2-yl)piperidine
CID 93478534
3-(2,4-dimethylphenyl)piperidine
CID 10535662
2-methyl-4-piperidin-3-ylphenol
CID 84663479
4-(5-methylthiophen-2-yl)azepane
CID 83260945
(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 92614938

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole?
The IUPAC name of 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole (CID 84630586) is 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole is Cc1ccc(C)c2c(C)c(C3CCCNC3)[nH]c12.
What is the InChIKey of 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole?
The InChIKey is DXFSENPEFMZUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-6-7-11(2)15-14(10)12(3)16(18-15)13-5-4-8-17-9-13/h6-7,13,17-18H,4-5,8-9H2,1-3H3.
What are the key properties of 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole?
3,4,7-trimethyl-2-piperidin-3-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 3,4,7-trimethyl-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 84630586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).