3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane

C31H40NO2P — CID 71039784

IUPAC3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane
SMILESCCC(CC)(Pc1ccccc1CN1CCCCC1)c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C31H40NO2P/c1-4-31(5-2,35-29-20-11-10-17-26(29)23-32-21-12-7-13-22-32)27-18-14-19-28(33-3)30(27)34-24-25-15-8-6-9-16-25/h6,8-11,14-20,35H,4-5,7,12-13,21-24H2,1-3H3
InChIKeyYJFAESHNKAUUNT-UHFFFAOYSA-N
MW489.64 g/mol
LogP7.28
Rot. Bonds11

About 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane

3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane (PubChem CID 71039784) has the molecular formula C31H40NO2P and a molecular weight of 489.64 g/mol. Its IUPAC name is 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane.

Molecular Properties

Compound Name3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane
PubChem CID71039784
Molecular FormulaC31H40NO2P
Molecular Weight489.64 g/mol
Exact Mass489.28
IUPAC Name3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane
SMILESCCC(CC)(Pc1ccccc1CN1CCCCC1)c1cccc(OC)c1OCc1ccccc1
InChIInChI=1S/C31H40NO2P/c1-4-31(5-2,35-29-20-11-10-17-26(29)23-32-21-12-7-13-22-32)27-18-14-19-28(33-3)30(27)34-24-25-15-8-6-9-16-25/h6,8-11,14-20,35H,4-5,7,12-13,21-24H2,1-3H3
InChIKeyYJFAESHNKAUUNT-UHFFFAOYSA-N
XLogP7.28
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane 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 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane?
The IUPAC name of 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane (CID 71039784) is 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane.
What is the SMILES notation for 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane?
The canonical SMILES for 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane is CCC(CC)(Pc1ccccc1CN1CCCCC1)c1cccc(OC)c1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane?
The InChIKey is YJFAESHNKAUUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40NO2P/c1-4-31(5-2,35-29-20-11-10-17-26(29)23-32-21-12-7-13-22-32)27-18-14-19-28(33-3)30(27)34-24-25-15-8-6-9-16-25/h6,8-11,14-20,35H,4-5,7,12-13,21-24H2,1-3H3.
What are the key properties of 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane?
3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane has a molecular weight of 489.64 g/mol, XLogP of 7.28, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-phenylmethoxyphenyl)pentan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane is sourced from PubChem (CID 71039784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).