methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol

C85H104N12O9Si2 — CID 157313254

About methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol

methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol (PubChem CID 157313254) has the molecular formula C85H104N12O9Si2 and a molecular weight of 1494.01 g/mol. Its IUPAC name is methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol.

Molecular Properties

• Compound Name: methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol
• PubChem CID: 157313254
• Molecular Formula: C85H104N12O9Si2
• Molecular Weight: 1494.01 g/mol
• Exact Mass: 1492.76
• IUPAC Name: methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol
• SMILES: C.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(CN4CCC(O)CC4)ccc3c2)nc1.OC1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1.OC1CCNCC1
• InChI: InChI=1S/C30H38N4O3Si.C25H27N3O3Si.C24H24N4O2.C5H11NO.CH4/c1-38(2,3)17-16-36-22-34-29(10-13-32-34)26-7-9-30(31-20-26)37-28-8-6-24-18-23(4-5-25(24)19-28)21-33-14-11-27(35)12-15-33;1-32(2,3)13-12-30-18-28-24(10-11-27-28)22-7-9-25(26-16-22)31-23-8-6-20-14-19(17-29)4-5-21(20)15-23;29-21-8-11-28(12-9-21)16-17-1-2-19-14-22(5-3-18(19)13-17)30-24-6-4-20(15-25-24)23-7-10-26-27-23;7-5-1-3-6-4-2-5;/h4-10,13,18-20,27,35H,11-12,14-17,21-22H2,1-3H3;4-11,14-17H,12-13,18H2,1-3H3;1-7,10,13-15,21,29H,8-9,11-12,16H2,(H,26,27);5-7H,1-4H2;1H4
• InChIKey: BDHAKBIRHDYHOI-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 245.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.01
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol?

The IUPAC name of methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol (CID 157313254) is methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol.

What is the SMILES notation for methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol?

The canonical SMILES for methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol is C.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3cc(CN4CCC(O)CC4)ccc3c2)nc1.OC1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1.OC1CCNCC1.

What is the InChIKey of methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol?

The InChIKey is BDHAKBIRHDYHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3Si.C25H27N3O3Si.C24H24N4O2.C5H11NO.CH4/c1-38(2,3)17-16-36-22-34-29(10-13-32-34)26-7-9-30(31-20-26)37-28-8-6-24-18-23(4-5-25(24)19-28)21-33-14-11-27(35)12-15-33;1-32(2,3)13-12-30-18-28-24(10-11-27-28)22-7-9-25(26-16-22)31-23-8-6-20-14-19(17-29)4-5-21(20)15-23;29-21-8-11-28(12-9-21)16-17-1-2-19-14-22(5-3-18(19)13-17)30-24-6-4-20(15-25-24)23-7-10-26-27-23;7-5-1-3-6-4-2-5;/h4-10,13,18-20,27,35H,11-12,14-17,21-22H2,1-3H3;4-11,14-17H,12-13,18H2,1-3H3;1-7,10,13-15,21,29H,8-9,11-12,16H2,(H,26,27);5-7H,1-4H2;1H4.

What are the key properties of methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol?

methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol has a molecular weight of 1494.01 g/mol, XLogP of 16.92, 24 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methane;piperidin-4-ol;1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 157313254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).