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

C15H20N2 — CID 84625661

IUPAC3,6-dimethyl-2-piperidin-4-yl-1H-indole
SMILESCc1ccc2c(C)c(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C15H20N2/c1-10-3-4-13-11(2)15(17-14(13)9-10)12-5-7-16-8-6-12/h3-4,9,12,16-17H,5-8H2,1-2H3
InChIKeyYJFCHGIFWDTCAO-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.25
Rot. Bonds1

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

3,6-dimethyl-2-piperidin-4-yl-1H-indole (PubChem CID 84625661) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,6-dimethyl-2-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name3,6-dimethyl-2-piperidin-4-yl-1H-indole
PubChem CID84625661
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3,6-dimethyl-2-piperidin-4-yl-1H-indole
SMILESCc1ccc2c(C)c(C3CCNCC3)[nH]c2c1
InChIInChI=1S/C15H20N2/c1-10-3-4-13-11(2)15(17-14(13)9-10)12-5-7-16-8-6-12/h3-4,9,12,16-17H,5-8H2,1-2H3
InChIKeyYJFCHGIFWDTCAO-UHFFFAOYSA-N
XLogP3.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,6-trimethyl-2-piperidin-4-yl-1H-indole
CID 84630546
5-ethoxy-3-methyl-2-piperidin-4-yl-1H-indole
CID 84637292
6-methyl-3-pyrrolidin-3-yl-1H-indole
CID 54857127
3,4,6-trimethyl-2-pyrrolidin-3-yl-1H-indole
CID 84625643
2-cyclobutyl-3-methyl-1H-indole
CID 91217757
1-cyclobutyl-7-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010496
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 84581686
2,6-dimethyl-4-piperidin-4-ylquinoline
CID 82664130
N,5-dimethyl-2-piperidin-4-ylaniline;ethane
CID 166120568
2-cyclononyl-3-methyl-1H-indole
CID 173177369
3-bromo-6-methyl-2-pyrrolidin-2-yl-1H-indole
CID 84642527
6-methyl-3-piperidin-4-yloxy-1H-indazole
CID 84694852

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-piperidin-4-yl-1H-indole?
The IUPAC name of 3,6-dimethyl-2-piperidin-4-yl-1H-indole (CID 84625661) is 3,6-dimethyl-2-piperidin-4-yl-1H-indole.
What is the SMILES notation for 3,6-dimethyl-2-piperidin-4-yl-1H-indole?
The canonical SMILES for 3,6-dimethyl-2-piperidin-4-yl-1H-indole is Cc1ccc2c(C)c(C3CCNCC3)[nH]c2c1.
What is the InChIKey of 3,6-dimethyl-2-piperidin-4-yl-1H-indole?
The InChIKey is YJFCHGIFWDTCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-3-4-13-11(2)15(17-14(13)9-10)12-5-7-16-8-6-12/h3-4,9,12,16-17H,5-8H2,1-2H3.
What are the key properties of 3,6-dimethyl-2-piperidin-4-yl-1H-indole?
3,6-dimethyl-2-piperidin-4-yl-1H-indole has a molecular weight of 228.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-piperidin-4-yl-1H-indole is sourced from PubChem (CID 84625661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).