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

Related Compounds

1-[(2-bromo-4-methoxy-3-phenylmethoxyphenyl)methyl]pyrrolidine
CID 176513537
3-[2-(methoxymethoxy)-3,5-dimethylphenyl]hexan-3-yl-[2-(piperidin-1-ylmethyl)phenyl]phosphane
CID 89356461
2-[2-(3-methoxy-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]benzaldehyde
CID 88969071
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine
CID 46977040
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
4-[[2-(piperidin-1-ylmethyl)phenoxy]methyl]pyridine
CID 167786530
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 17159370
(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane
CID 88969075
1-benzyl-N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159369
N-[(2-chlorophenyl)methyl]-1-(3-methoxy-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17289767

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).