[4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine

C68H70N10O4 — CID 162128496

IUPAC[4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine
SMILESCC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.CC1CCNCC1.NC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.OCc1ccc2nncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C23H23N3O.C22H22N4O.C17H12N2O2.C6H13N/c1-16-8-10-26(11-9-16)15-17-6-7-21-19(12-17)20(14-24-25-21)23-13-18-4-2-3-5-22(18)27-23;23-17-7-9-26(10-8-17)14-15-5-6-20-18(11-15)19(13-24-25-20)22-12-16-3-1-2-4-21(16)27-22;20-10-11-5-6-15-13(7-11)14(9-18-19-15)17-8-12-3-1-2-4-16(12)21-17;1-6-2-4-7-5-3-6/h2-7,12-14,16H,8-11,15H2,1H3;1-6,11-13,17H,7-10,14,23H2;1-9,20H,10H2;6-7H,2-5H2,1H3
InChIKeyZIIXFSUFPLYVED-UHFFFAOYSA-N
MW1091.37 g/mol
LogP13.78
Rot. Bonds8

About [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine

[4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine (PubChem CID 162128496) has the molecular formula C68H70N10O4 and a molecular weight of 1091.37 g/mol. Its IUPAC name is [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine.

Molecular Properties

Compound Name[4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine
PubChem CID162128496
Molecular FormulaC68H70N10O4
Molecular Weight1091.37 g/mol
Exact Mass1090.56
IUPAC Name[4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine
SMILESCC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.CC1CCNCC1.NC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.OCc1ccc2nncc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C23H23N3O.C22H22N4O.C17H12N2O2.C6H13N/c1-16-8-10-26(11-9-16)15-17-6-7-21-19(12-17)20(14-24-25-21)23-13-18-4-2-3-5-22(18)27-23;23-17-7-9-26(10-8-17)14-15-5-6-20-18(11-15)19(13-24-25-20)22-12-16-3-1-2-4-21(16)27-22;20-10-11-5-6-15-13(7-11)14(9-18-19-15)17-8-12-3-1-2-4-16(12)21-17;1-6-2-4-7-5-3-6/h2-7,12-14,16H,8-11,15H2,1H3;1-6,11-13,17H,7-10,14,23H2;1-9,20H,10H2;6-7H,2-5H2,1H3
InChIKeyZIIXFSUFPLYVED-UHFFFAOYSA-N
XLogP13.78
TPSA181.52 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.37
LogP ≤ 513.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
The IUPAC name of [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine (CID 162128496) is [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine.
What is the SMILES notation for [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
The canonical SMILES for [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine is CC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.CC1CCNCC1.NC1CCN(Cc2ccc3nncc(-c4cc5ccccc5o4)c3c2)CC1.OCc1ccc2nncc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
The InChIKey is ZIIXFSUFPLYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O.C22H22N4O.C17H12N2O2.C6H13N/c1-16-8-10-26(11-9-16)15-17-6-7-21-19(12-17)20(14-24-25-21)23-13-18-4-2-3-5-22(18)27-23;23-17-7-9-26(10-8-17)14-15-5-6-20-18(11-15)19(13-24-25-20)22-12-16-3-1-2-4-21(16)27-22;20-10-11-5-6-15-13(7-11)14(9-18-19-15)17-8-12-3-1-2-4-16(12)21-17;1-6-2-4-7-5-3-6/h2-7,12-14,16H,8-11,15H2,1H3;1-6,11-13,17H,7-10,14,23H2;1-9,20H,10H2;6-7H,2-5H2,1H3.
What are the key properties of [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine?
[4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine has a molecular weight of 1091.37 g/mol, XLogP of 13.78, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine is sourced from PubChem (CID 162128496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).