3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole

C29H32N2O — CID 10113139

IUPAC3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
SMILESCc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C29H32N2O/c1-23-27-12-6-7-13-28(27)31(29(23)25-10-4-2-5-11-25)22-24-14-16-26(17-15-24)32-21-20-30-18-8-3-9-19-30/h2,4-7,10-17H,3,8-9,18-22H2,1H3
InChIKeyMUISBZFKLKRXON-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.53
Rot. Bonds7

About 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole

3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole (PubChem CID 10113139) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole.

Molecular Properties

Compound Name3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
PubChem CID10113139
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
SMILESCc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C29H32N2O/c1-23-27-12-6-7-13-28(27)31(29(23)25-10-4-2-5-11-25)22-24-14-16-26(17-15-24)32-21-20-30-18-8-3-9-19-30/h2,4-7,10-17H,3,8-9,18-22H2,1H3
InChIKeyMUISBZFKLKRXON-UHFFFAOYSA-N
XLogP6.53
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The IUPAC name of 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole (CID 10113139) is 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole.
What is the SMILES notation for 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The canonical SMILES for 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole is Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12.
What is the InChIKey of 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
The InChIKey is MUISBZFKLKRXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c1-23-27-12-6-7-13-28(27)31(29(23)25-10-4-2-5-11-25)22-24-14-16-26(17-15-24)32-21-20-30-18-8-3-9-19-30/h2,4-7,10-17H,3,8-9,18-22H2,1H3.
What are the key properties of 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole?
3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole has a molecular weight of 424.59 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole is sourced from PubChem (CID 10113139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).