1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol

C37H70N8O2 — CID 148920634

IUPAC1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol
SMILESCC1CCN(C2(N3CCCC(C)C3)N(C)CC(N3CCOCC3)C(O)(N3CCNCC3)C2(N2CCCCC2)N2CCCCC2C)CC1
InChIInChI=1S/C37H70N8O2/c1-31-13-21-43(22-14-31)37(44-19-10-11-32(2)29-44)36(42-17-7-5-8-18-42,45-20-9-6-12-33(45)3)35(46,41-23-15-38-16-24-41)34(30-39(37)4)40-25-27-47-28-26-40/h31-34,38,46H,5-30H2,1-4H3
InChIKeyGCNNLEUFTFWCDL-UHFFFAOYSA-N
MW659.02 g/mol
LogP2.40
Rot. Bonds6

About 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol

1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol (PubChem CID 148920634) has the molecular formula C37H70N8O2 and a molecular weight of 659.02 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol
PubChem CID148920634
Molecular FormulaC37H70N8O2
Molecular Weight659.02 g/mol
Exact Mass658.56
IUPAC Name1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol
SMILESCC1CCN(C2(N3CCCC(C)C3)N(C)CC(N3CCOCC3)C(O)(N3CCNCC3)C2(N2CCCCC2)N2CCCCC2C)CC1
InChIInChI=1S/C37H70N8O2/c1-31-13-21-43(22-14-31)37(44-19-10-11-32(2)29-44)36(42-17-7-5-8-18-42,45-20-9-6-12-33(45)3)35(46,41-23-15-38-16-24-41)34(30-39(37)4)40-25-27-47-28-26-40/h31-34,38,46H,5-30H2,1-4H3
InChIKeyGCNNLEUFTFWCDL-UHFFFAOYSA-N
XLogP2.40
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.02
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol?
The IUPAC name of 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol (CID 148920634) is 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol.
What is the SMILES notation for 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol?
The canonical SMILES for 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol is CC1CCN(C2(N3CCCC(C)C3)N(C)CC(N3CCOCC3)C(O)(N3CCNCC3)C2(N2CCCCC2)N2CCCCC2C)CC1.
What is the InChIKey of 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol?
The InChIKey is GCNNLEUFTFWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H70N8O2/c1-31-13-21-43(22-14-31)37(44-19-10-11-32(2)29-44)36(42-17-7-5-8-18-42,45-20-9-6-12-33(45)3)35(46,41-23-15-38-16-24-41)34(30-39(37)4)40-25-27-47-28-26-40/h31-34,38,46H,5-30H2,1-4H3.
What are the key properties of 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol?
1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol has a molecular weight of 659.02 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)-5-morpholin-4-yl-4-piperazin-1-yl-3-piperidin-1-ylpiperidin-4-ol is sourced from PubChem (CID 148920634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).