1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine

C28H38ClN3 — CID 118729064

IUPAC1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
SMILESClc1cccc(CN2CCC(NCCCCCCCCn3ccc4ccccc43)CC2)c1
InChIInChI=1S/C28H38ClN3/c29-26-12-9-10-24(22-26)23-31-19-15-27(16-20-31)30-17-7-3-1-2-4-8-18-32-21-14-25-11-5-6-13-28(25)32/h5-6,9-14,21-22,27,30H,1-4,7-8,15-20,23H2
InChIKeyFEZSAHGZTGVKNU-UHFFFAOYSA-N
MW452.09 g/mol
LogP6.89
Rot. Bonds12

About 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine

1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine (PubChem CID 118729064) has the molecular formula C28H38ClN3 and a molecular weight of 452.09 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
PubChem CID118729064
Molecular FormulaC28H38ClN3
Molecular Weight452.09 g/mol
Exact Mass451.28
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
SMILESClc1cccc(CN2CCC(NCCCCCCCCn3ccc4ccccc43)CC2)c1
InChIInChI=1S/C28H38ClN3/c29-26-12-9-10-24(22-26)23-31-19-15-27(16-20-31)30-17-7-3-1-2-4-8-18-32-21-14-25-11-5-6-13-28(25)32/h5-6,9-14,21-22,27,30H,1-4,7-8,15-20,23H2
InChIKeyFEZSAHGZTGVKNU-UHFFFAOYSA-N
XLogP6.89
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.09
LogP ≤ 56.89
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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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729062
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75382409
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
CID 63879211
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 172933805
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
2-[8-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]octyl]isoindole-1,3-dione
CID 118729056
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine (CID 118729064) is 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine is Clc1cccc(CN2CCC(NCCCCCCCCn3ccc4ccccc43)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
The InChIKey is FEZSAHGZTGVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38ClN3/c29-26-12-9-10-24(22-26)23-31-19-15-27(16-20-31)30-17-7-3-1-2-4-8-18-32-21-14-25-11-5-6-13-28(25)32/h5-6,9-14,21-22,27,30H,1-4,7-8,15-20,23H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine has a molecular weight of 452.09 g/mol, XLogP of 6.89, 12 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-(8-indol-1-yloctyl)piperidin-4-amine is sourced from PubChem (CID 118729064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).