2,3-dimethyl-5-piperidin-4-yl-1H-indole

C15H20N2 — CID 82391168

IUPAC2,3-dimethyl-5-piperidin-4-yl-1H-indole
SMILESCc1[nH]c2ccc(C3CCNCC3)cc2c1C
InChIInChI=1S/C15H20N2/c1-10-11(2)17-15-4-3-13(9-14(10)15)12-5-7-16-8-6-12/h3-4,9,12,16-17H,5-8H2,1-2H3
InChIKeyFSGPRJXNZOBKCF-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.25
Rot. Bonds1

About 2,3-dimethyl-5-piperidin-4-yl-1H-indole

2,3-dimethyl-5-piperidin-4-yl-1H-indole (PubChem CID 82391168) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,3-dimethyl-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name2,3-dimethyl-5-piperidin-4-yl-1H-indole
PubChem CID82391168
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2,3-dimethyl-5-piperidin-4-yl-1H-indole
SMILESCc1[nH]c2ccc(C3CCNCC3)cc2c1C
InChIInChI=1S/C15H20N2/c1-10-11(2)17-15-4-3-13(9-14(10)15)12-5-7-16-8-6-12/h3-4,9,12,16-17H,5-8H2,1-2H3
InChIKeyFSGPRJXNZOBKCF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-piperidin-4-yl-1H-indole?
The IUPAC name of 2,3-dimethyl-5-piperidin-4-yl-1H-indole (CID 82391168) is 2,3-dimethyl-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 2,3-dimethyl-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 2,3-dimethyl-5-piperidin-4-yl-1H-indole is Cc1[nH]c2ccc(C3CCNCC3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-5-piperidin-4-yl-1H-indole?
The InChIKey is FSGPRJXNZOBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10-11(2)17-15-4-3-13(9-14(10)15)12-5-7-16-8-6-12/h3-4,9,12,16-17H,5-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-piperidin-4-yl-1H-indole?
2,3-dimethyl-5-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 2,3-dimethyl-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 82391168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).