5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole

C27H36N2O2 — CID 15925641

IUPAC5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
SMILESCOc1ccc(-c2cc3cc(OC)ccc3n2CCCCCCN2CCCCC2)cc1
InChIInChI=1S/C27H36N2O2/c1-30-24-12-10-22(11-13-24)27-21-23-20-25(31-2)14-15-26(23)29(27)19-9-4-3-6-16-28-17-7-5-8-18-28/h10-15,20-21H,3-9,16-19H2,1-2H3
InChIKeyKVZASSPCPQYHEB-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.37
Rot. Bonds10

About 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole

5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole (PubChem CID 15925641) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole.

Molecular Properties

Compound Name5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
PubChem CID15925641
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
SMILESCOc1ccc(-c2cc3cc(OC)ccc3n2CCCCCCN2CCCCC2)cc1
InChIInChI=1S/C27H36N2O2/c1-30-24-12-10-22(11-13-24)27-21-23-20-25(31-2)14-15-26(23)29(27)19-9-4-3-6-16-28-17-7-5-8-18-28/h10-15,20-21H,3-9,16-19H2,1-2H3
InChIKeyKVZASSPCPQYHEB-UHFFFAOYSA-N
XLogP6.37
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(12-piperidin-1-yldodecyl)indole
CID 54515191
5-methoxy-2-(4-methoxyphenyl)-3-methyl-1-(4-pyrrolidin-1-ylbutyl)indole
CID 15925637
1-[6-(4-methoxyphenyl)hexyl]piperidine
CID 129295861
(2R)-1-(azepan-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 7064426
(2S)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-piperidin-1-ylpropan-2-ol
CID 1180091
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
CID 140666340

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole?
The IUPAC name of 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole (CID 15925641) is 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole.
What is the SMILES notation for 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole?
The canonical SMILES for 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole is COc1ccc(-c2cc3cc(OC)ccc3n2CCCCCCN2CCCCC2)cc1.
What is the InChIKey of 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole?
The InChIKey is KVZASSPCPQYHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-30-24-12-10-22(11-13-24)27-21-23-20-25(31-2)14-15-26(23)29(27)19-9-4-3-6-16-28-17-7-5-8-18-28/h10-15,20-21H,3-9,16-19H2,1-2H3.
What are the key properties of 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole?
5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole has a molecular weight of 420.60 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole is sourced from PubChem (CID 15925641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).