5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine

C42H48N2O3 — CID 122181227

IUPAC5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine
SMILESNCCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C42H48N2O3/c43-26-14-4-11-23-39-41(46-31-34-17-7-2-8-18-34)42(47-32-35-19-9-3-10-20-35)40(45-30-33-15-5-1-6-16-33)29-44(39)28-36-24-25-37-21-12-13-22-38(37)27-36/h1-3,5-10,12-13,15-22,24-25,27,39-42H,4,11,14,23,26,28-32,43H2/t39-,40+,41-,42-/m1/s1
InChIKeyZYVSCKPGUXZYLJ-SZRGUQLDSA-N
MW628.86 g/mol
LogP8.30
Rot. Bonds16

About 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine

5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine (PubChem CID 122181227) has the molecular formula C42H48N2O3 and a molecular weight of 628.86 g/mol. Its IUPAC name is 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine
PubChem CID122181227
Molecular FormulaC42H48N2O3
Molecular Weight628.86 g/mol
Exact Mass628.37
IUPAC Name5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine
SMILESNCCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C42H48N2O3/c43-26-14-4-11-23-39-41(46-31-34-17-7-2-8-18-34)42(47-32-35-19-9-3-10-20-35)40(45-30-33-15-5-1-6-16-33)29-44(39)28-36-24-25-37-21-12-13-22-38(37)27-36/h1-3,5-10,12-13,15-22,24-25,27,39-42H,4,11,14,23,26,28-32,43H2/t39-,40+,41-,42-/m1/s1
InChIKeyZYVSCKPGUXZYLJ-SZRGUQLDSA-N
XLogP8.30
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.86
LogP ≤ 58.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-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 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine?
The IUPAC name of 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine (CID 122181227) is 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine?
The canonical SMILES for 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine is NCCCCC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccc2ccccc2c1.
What is the InChIKey of 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine?
The InChIKey is ZYVSCKPGUXZYLJ-SZRGUQLDSA-N. The full InChI is InChI=1S/C42H48N2O3/c43-26-14-4-11-23-39-41(46-31-34-17-7-2-8-18-34)42(47-32-35-19-9-3-10-20-35)40(45-30-33-15-5-1-6-16-33)29-44(39)28-36-24-25-37-21-12-13-22-38(37)27-36/h1-3,5-10,12-13,15-22,24-25,27,39-42H,4,11,14,23,26,28-32,43H2/t39-,40+,41-,42-/m1/s1.
What are the key properties of 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine?
5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine has a molecular weight of 628.86 g/mol, XLogP of 8.30, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R,4R,5S)-1-(naphthalen-2-ylmethyl)-3,4,5-tris(phenylmethoxy)piperidin-2-yl]pentan-1-amine is sourced from PubChem (CID 122181227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).