3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole

C24H30N2O — CID 10338706

IUPAC3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole
SMILESCOc1ccccc1C1CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N2O/c1-27-24-12-5-3-10-22(24)19-13-16-26(17-14-19)15-7-6-8-20-18-25-23-11-4-2-9-21(20)23/h2-5,9-12,18-19,25H,6-8,13-17H2,1H3
InChIKeyNKPDKJVQROXIIC-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.38
Rot. Bonds7

About 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole

3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole (PubChem CID 10338706) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole
PubChem CID10338706
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole
SMILESCOc1ccccc1C1CCN(CCCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N2O/c1-27-24-12-5-3-10-22(24)19-13-16-26(17-14-19)15-7-6-8-20-18-25-23-11-4-2-9-21(20)23/h2-5,9-12,18-19,25H,6-8,13-17H2,1H3
InChIKeyNKPDKJVQROXIIC-UHFFFAOYSA-N
XLogP5.38
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole (CID 10338706) is 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole is COc1ccccc1C1CCN(CCCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole?
The InChIKey is NKPDKJVQROXIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-27-24-12-5-3-10-22(24)19-13-16-26(17-14-19)15-7-6-8-20-18-25-23-11-4-2-9-21(20)23/h2-5,9-12,18-19,25H,6-8,13-17H2,1H3.
What are the key properties of 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole?
3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole has a molecular weight of 362.52 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 10338706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).