1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine

C28H38FN3 — CID 118729062

IUPAC1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
SMILESFc1ccccc1CN1CCC(NCCCCCCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C28H38FN3/c29-27-13-7-5-12-25(27)23-31-20-16-26(17-21-31)30-18-9-3-1-2-4-10-19-32-22-15-24-11-6-8-14-28(24)32/h5-8,11-15,22,26,30H,1-4,9-10,16-21,23H2
InChIKeyNUEJCXRCGLPRBU-UHFFFAOYSA-N
MW435.63 g/mol
LogP6.38
Rot. Bonds12

About 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine

1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine (PubChem CID 118729062) has the molecular formula C28H38FN3 and a molecular weight of 435.63 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
PubChem CID118729062
Molecular FormulaC28H38FN3
Molecular Weight435.63 g/mol
Exact Mass435.30
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
SMILESFc1ccccc1CN1CCC(NCCCCCCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C28H38FN3/c29-27-13-7-5-12-25(27)23-31-20-16-26(17-21-31)30-18-9-3-1-2-4-10-19-32-22-15-24-11-6-8-14-28(24)32/h5-8,11-15,22,26,30H,1-4,9-10,16-21,23H2
InChIKeyNUEJCXRCGLPRBU-UHFFFAOYSA-N
XLogP6.38
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.63
LogP ≤ 56.38
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-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729064
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
N-(3-indol-1-ylpropyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 75382409
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
1-[(2-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91956083
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
N-(3-indol-1-ylpropyl)-3-methylcyclohexan-1-amine
CID 43078302
N-(3-indol-1-ylpropyl)-1,1-dioxothian-3-amine
CID 63910668
1-[(2,3-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923818
N-(3-indol-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82823981

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine (CID 118729062) is 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine is Fc1ccccc1CN1CCC(NCCCCCCCCn2ccc3ccccc32)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
The InChIKey is NUEJCXRCGLPRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN3/c29-27-13-7-5-12-25(27)23-31-20-16-26(17-21-31)30-18-9-3-1-2-4-10-19-32-22-15-24-11-6-8-14-28(24)32/h5-8,11-15,22,26,30H,1-4,9-10,16-21,23H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine?
1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine has a molecular weight of 435.63 g/mol, XLogP of 6.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine is sourced from PubChem (CID 118729062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).