1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone

C112H170N9O9P3 — CID 158949453

About 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone

1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 158949453) has the molecular formula C112H170N9O9P3 and a molecular weight of 1879.57 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

• Compound Name: 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
• PubChem CID: 158949453
• Molecular Formula: C112H170N9O9P3
• Molecular Weight: 1879.57 g/mol
• Exact Mass: 1878.23
• IUPAC Name: 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
• SMILES: CC(C)(C)c1ccc(CO)cc1.CN(C)CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.COc1cc(C(=O)N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(P2(=O)CCNCC2)ccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1-c1ccn(C)n1
• InChI: InChI=1S/C19H28NO3P.C18H29N3O.C18H28NO2P.C16H25N.C15H20N2.C15H24NO2P.C11H16O/c1-19(2,3)16-8-5-14(13-17(16)23-4)18(21)20-9-11-24(22,12-10-20)15-6-7-15;1-18(2,3)15-6-8-16(9-7-15)20-10-12-21(13-11-20)17(22)14-19(4)5;1-18(2,3)16-8-5-14(13-17(16)21-4)19-9-11-22(20,12-10-19)15-6-7-15;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-11-10-12(15(2,3)4)6-7-13(11)14-8-9-17(5)16-14;1-15(2,3)13-6-5-12(11-14(13)18-4)19(17)9-7-16-8-10-19;1-11(2,3)10-6-4-9(8-12)5-7-10/h5,8,13,15H,6-7,9-12H2,1-4H3;6-9H,10-14H2,1-5H3;5,8,13,15H,6-7,9-12H2,1-4H3;5-8,14H,9-12H2,1-4H3;6-10H,1-5H3;5-6,11,16H,7-10H2,1-4H3;4-7,12H,8H2,1-3H3
• InChIKey: JLFWAHQWWQHCHE-UHFFFAOYSA-N
• XLogP: 23.05
• TPSA: 182.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.57
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?

The IUPAC name of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone (CID 158949453) is 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone.

What is the SMILES notation for 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?

The canonical SMILES for 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone is CC(C)(C)c1ccc(CO)cc1.CN(C)CC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.CN1CCC(c2ccc(C(C)(C)C)cc2)CC1.COc1cc(C(=O)N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCP(=O)(C3CC3)CC2)ccc1C(C)(C)C.COc1cc(P2(=O)CCNCC2)ccc1C(C)(C)C.Cc1cc(C(C)(C)C)ccc1-c1ccn(C)n1.

What is the InChIKey of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?

The InChIKey is JLFWAHQWWQHCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28NO3P.C18H29N3O.C18H28NO2P.C16H25N.C15H20N2.C15H24NO2P.C11H16O/c1-19(2,3)16-8-5-14(13-17(16)23-4)18(21)20-9-11-24(22,12-10-20)15-6-7-15;1-18(2,3)15-6-8-16(9-7-15)20-10-12-21(13-11-20)17(22)14-19(4)5;1-18(2,3)16-8-5-14(13-17(16)21-4)19-9-11-22(20,12-10-19)15-6-7-15;1-16(2,3)15-7-5-13(6-8-15)14-9-11-17(4)12-10-14;1-11-10-12(15(2,3)4)6-7-13(11)14-8-9-17(5)16-14;1-15(2,3)13-6-5-12(11-14(13)18-4)19(17)9-7-16-8-10-19;1-11(2,3)10-6-4-9(8-12)5-7-10/h5,8,13,15H,6-7,9-12H2,1-4H3;6-9H,10-14H2,1-5H3;5,8,13,15H,6-7,9-12H2,1-4H3;5-8,14H,9-12H2,1-4H3;6-10H,1-5H3;5-6,11,16H,7-10H2,1-4H3;4-7,12H,8H2,1-3H3.

What are the key properties of 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone?

1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 1879.57 g/mol, XLogP of 23.05, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4λ5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4λ5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4λ5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 158949453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).