1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine

C26H34ClN3 — CID 118729063

IUPAC1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine
SMILESClc1cccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)c1
InChIInChI=1S/C26H34ClN3/c27-24-10-7-8-22(20-24)21-29-17-13-25(14-18-29)28-15-5-1-2-6-16-30-19-12-23-9-3-4-11-26(23)30/h3-4,7-12,19-20,25,28H,1-2,5-6,13-18,21H2
InChIKeySZEUNMXCEYPGMI-UHFFFAOYSA-N
MW424.03 g/mol
LogP6.11
Rot. Bonds10

About 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine

1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine (PubChem CID 118729063) has the molecular formula C26H34ClN3 and a molecular weight of 424.03 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine
PubChem CID118729063
Molecular FormulaC26H34ClN3
Molecular Weight424.03 g/mol
Exact Mass423.24
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine
SMILESClc1cccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)c1
InChIInChI=1S/C26H34ClN3/c27-24-10-7-8-22(20-24)21-29-17-13-25(14-18-29)28-15-5-1-2-6-16-30-19-12-23-9-3-4-11-26(23)30/h3-4,7-12,19-20,25,28H,1-2,5-6,13-18,21H2
InChIKeySZEUNMXCEYPGMI-UHFFFAOYSA-N
XLogP6.11
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.03
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine (CID 118729063) is 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine is Clc1cccc(CN2CCC(NCCCCCCn3ccc4ccccc43)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine?
The InChIKey is SZEUNMXCEYPGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3/c27-24-10-7-8-22(20-24)21-29-17-13-25(14-18-29)28-15-5-1-2-6-16-30-19-12-23-9-3-4-11-26(23)30/h3-4,7-12,19-20,25,28H,1-2,5-6,13-18,21H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine?
1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine has a molecular weight of 424.03 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-(6-indol-1-ylhexyl)piperidin-4-amine is sourced from PubChem (CID 118729063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).