1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine

C29H36N2O — CID 10598649

IUPAC1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H36N2O/c1-4-11-25(12-5-1)13-10-20-30-28-18-21-31(22-19-28)23-24-32-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28-30H,10,13,18-24H2
InChIKeyCPELCYRAOXWACY-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.48
Rot. Bonds11

About 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine

1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine (PubChem CID 10598649) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine
PubChem CID10598649
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC Name1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine
SMILESc1ccc(CCCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H36N2O/c1-4-11-25(12-5-1)13-10-20-30-28-18-21-31(22-19-28)23-24-32-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28-30H,10,13,18-24H2
InChIKeyCPELCYRAOXWACY-UHFFFAOYSA-N
XLogP5.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.48
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-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine (CID 10598649) is 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine is c1ccc(CCCNC2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine?
The InChIKey is CPELCYRAOXWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O/c1-4-11-25(12-5-1)13-10-20-30-28-18-21-31(22-19-28)23-24-32-29(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28-30H,10,13,18-24H2.
What are the key properties of 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine?
1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine has a molecular weight of 428.62 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-N-(3-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 10598649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).