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

C30H38N2O — CID 10813109

IUPAC1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine
SMILESCN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3
InChIKeyQYIDZGIRYRGUNF-UHFFFAOYSA-N
MW442.65 g/mol
LogP5.82
Rot. Bonds11

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

1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine (PubChem CID 10813109) has the molecular formula C30H38N2O and a molecular weight of 442.65 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine
PubChem CID10813109
Molecular FormulaC30H38N2O
Molecular Weight442.65 g/mol
Exact Mass442.30
IUPAC Name1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine
SMILESCN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3
InChIKeyQYIDZGIRYRGUNF-UHFFFAOYSA-N
XLogP5.82
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine?
The IUPAC name of 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine (CID 10813109) is 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine is CN(CCCc1ccccc1)C1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine?
The InChIKey is QYIDZGIRYRGUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O/c1-31(21-11-14-26-12-5-2-6-13-26)29-19-22-32(23-20-29)24-25-33-30(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-18,29-30H,11,14,19-25H2,1H3.
What are the key properties of 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine?
1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine has a molecular weight of 442.65 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-N-methyl-N-(3-phenylpropyl)piperidin-4-amine is sourced from PubChem (CID 10813109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).