[1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C26H37N3O2 — CID 53325045

IUPAC[1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C26H37N3O2/c27-18-10-3-1-2-4-11-19-29-20-16-23(17-21-29)31-26(30)28-25-15-9-8-14-24(25)22-12-6-5-7-13-22/h5-9,12-15,23H,1-4,10-11,16-21,27H2,(H,28,30)
InChIKeyCPDOURDQZZGXQY-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.67
Rot. Bonds11

About [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53325045) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53325045
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name[1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C26H37N3O2/c27-18-10-3-1-2-4-11-19-29-20-16-23(17-21-29)31-26(30)28-25-15-9-8-14-24(25)22-12-6-5-7-13-22/h5-9,12-15,23H,1-4,10-11,16-21,27H2,(H,28,30)
InChIKeyCPDOURDQZZGXQY-UHFFFAOYSA-N
XLogP5.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53325045) is [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is CPDOURDQZZGXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c27-18-10-3-1-2-4-11-19-29-20-16-23(17-21-29)31-26(30)28-25-15-9-8-14-24(25)22-12-6-5-7-13-22/h5-9,12-15,23H,1-4,10-11,16-21,27H2,(H,28,30).
What are the key properties of [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 423.60 g/mol, XLogP of 5.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-aminooctyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53325045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).