1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole

C26H33N3 — CID 134590104

IUPAC1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2ccc3ccn(C(c4ccccc4)C4CCCCC4)c3c2)CC1
InChIInChI=1S/C26H33N3/c1-27-16-18-28(19-17-27)24-13-12-21-14-15-29(25(21)20-24)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,20,23,26H,3,6-7,10-11,16-19H2,1H3
InChIKeyRUDKMWSWVMGTPQ-UHFFFAOYSA-N
MW387.57 g/mol
LogP5.56
Rot. Bonds4

About 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole

1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole (PubChem CID 134590104) has the molecular formula C26H33N3 and a molecular weight of 387.57 g/mol. Its IUPAC name is 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole
PubChem CID134590104
Molecular FormulaC26H33N3
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC Name1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2ccc3ccn(C(c4ccccc4)C4CCCCC4)c3c2)CC1
InChIInChI=1S/C26H33N3/c1-27-16-18-28(19-17-27)24-13-12-21-14-15-29(25(21)20-24)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,20,23,26H,3,6-7,10-11,16-19H2,1H3
InChIKeyRUDKMWSWVMGTPQ-UHFFFAOYSA-N
XLogP5.56
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole?
The IUPAC name of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole (CID 134590104) is 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole is CN1CCN(c2ccc3ccn(C(c4ccccc4)C4CCCCC4)c3c2)CC1.
What is the InChIKey of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole?
The InChIKey is RUDKMWSWVMGTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3/c1-27-16-18-28(19-17-27)24-13-12-21-14-15-29(25(21)20-24)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,20,23,26H,3,6-7,10-11,16-19H2,1H3.
What are the key properties of 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole?
1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole has a molecular weight of 387.57 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(phenyl)methyl]-6-(4-methylpiperazin-1-yl)indole is sourced from PubChem (CID 134590104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).