[1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C24H33N3O2 — CID 53325550

IUPAC[1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c25-16-8-1-2-9-17-27-18-14-21(15-19-27)29-24(28)26-23-13-7-6-12-22(23)20-10-4-3-5-11-20/h3-7,10-13,21H,1-2,8-9,14-19,25H2,(H,26,28)
InChIKeyZFBIQOOTKQCTMV-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.89
Rot. Bonds9

About [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 53325550) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID53325550
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name[1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESNCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H33N3O2/c25-16-8-1-2-9-17-27-18-14-21(15-19-27)29-24(28)26-23-13-7-6-12-22(23)20-10-4-3-5-11-20/h3-7,10-13,21H,1-2,8-9,14-19,25H2,(H,26,28)
InChIKeyZFBIQOOTKQCTMV-UHFFFAOYSA-N
XLogP4.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.89
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-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 53325550) is [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is NCCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is ZFBIQOOTKQCTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c25-16-8-1-2-9-17-27-18-14-21(15-19-27)29-24(28)26-23-13-7-6-12-22(23)20-10-4-3-5-11-20/h3-7,10-13,21H,1-2,8-9,14-19,25H2,(H,26,28).
What are the key properties of [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 395.55 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-aminohexyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 53325550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).