ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen

C32H56N2O4 — CID 143300267

About ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen

ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen (PubChem CID 143300267) has the molecular formula C32H56N2O4 and a molecular weight of 532.81 g/mol. Its IUPAC name is ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen.

Molecular Properties

• Compound Name: ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen
• PubChem CID: 143300267
• Molecular Formula: C32H56N2O4
• Molecular Weight: 532.81 g/mol
• Exact Mass: 532.42
• IUPAC Name: ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen
• SMILES: CC.CCC(C)C.COCCCN1CCOc2ccc(CO)cc21.COc1ccc(C2CCNCC2)cc1.[H][H]
• InChI: InChI=1S/C13H19NO3.C12H17NO.C5H12.C2H6.H2/c1-16-7-2-5-14-6-8-17-13-4-3-11(10-15)9-12(13)14;1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11;1-4-5(2)3;1-2;/h3-4,9,15H,2,5-8,10H2,1H3;2-5,11,13H,6-9H2,1H3;5H,4H2,1-3H3;1-2H3;1H
• InChIKey: QLRMPBXIOVFXIH-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 63.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.81
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen?

The IUPAC name of ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen (CID 143300267) is ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen.

What is the SMILES notation for ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen?

The canonical SMILES for ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen is CC.CCC(C)C.COCCCN1CCOc2ccc(CO)cc21.COc1ccc(C2CCNCC2)cc1.[H][H].

What is the InChIKey of ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen?

The InChIKey is QLRMPBXIOVFXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.C12H17NO.C5H12.C2H6.H2/c1-16-7-2-5-14-6-8-17-13-4-3-11(10-15)9-12(13)14;1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11;1-4-5(2)3;1-2;/h3-4,9,15H,2,5-8,10H2,1H3;2-5,11,13H,6-9H2,1H3;5H,4H2,1-3H3;1-2H3;1H.

What are the key properties of ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen?

ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen has a molecular weight of 532.81 g/mol, XLogP of 6.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-(4-methoxyphenyl)piperidine;[4-(3-methoxypropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]methanol;2-methylbutane;molecular hydrogen is sourced from PubChem (CID 143300267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).