methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen

C36H47NO7 — CID 145126257

About methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen

methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen (PubChem CID 145126257) has the molecular formula C36H47NO7 and a molecular weight of 605.77 g/mol. Its IUPAC name is methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen.

Molecular Properties

• Compound Name: methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen
• PubChem CID: 145126257
• Molecular Formula: C36H47NO7
• Molecular Weight: 605.77 g/mol
• Exact Mass: 605.34
• IUPAC Name: methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen
• SMILES: COCO.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2)cc1.[H][H]
• InChI: InChI=1S/C34H39NO5.C2H6O2.H2/c1-36-32-11-6-4-9-28(32)24-38-18-7-19-39-29-14-12-26(13-15-29)31-16-17-35-22-34(31)40-23-25-20-27-8-3-5-10-30(27)33(21-25)37-2;1-4-2-3;/h3-6,8-15,20-21,31,34-35H,7,16-19,22-24H2,1-2H3;3H,2H2,1H3;1H/t31-,34+;;/m1../s1
• InChIKey: SZYKKJHDWMVZNA-OTODMFDSSA-N
• XLogP: 6.33
• TPSA: 87.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.77
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen?

The IUPAC name of methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen (CID 145126257) is methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen.

What is the SMILES notation for methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen?

The canonical SMILES for methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen is COCO.COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2)cc1.[H][H].

What is the InChIKey of methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen?

The InChIKey is SZYKKJHDWMVZNA-OTODMFDSSA-N. The full InChI is InChI=1S/C34H39NO5.C2H6O2.H2/c1-36-32-11-6-4-9-28(32)24-38-18-7-19-39-29-14-12-26(13-15-29)31-16-17-35-22-34(31)40-23-25-20-27-8-3-5-10-30(27)33(21-25)37-2;1-4-2-3;/h3-6,8-15,20-21,31,34-35H,7,16-19,22-24H2,1-2H3;3H,2H2,1H3;1H/t31-,34+;;/m1../s1.

What are the key properties of methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen?

methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen has a molecular weight of 605.77 g/mol, XLogP of 6.33, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methoxymethanol;(3R,4R)-3-[(4-methoxynaphthalen-2-yl)methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine;molecular hydrogen is sourced from PubChem (CID 145126257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).