2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine

C57H108N8 — CID 91801630

IUPAC2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
SMILESCCN1CCC(C2C(CCN3CCCCC3)(C3CCNCC3)CN(C(C)C)C(C3CCN(CC)CC3)(C3CCN(CC)CC3)C2(C2CCN(CC)CC2)C2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C57H108N8/c1-9-59-33-18-48(19-34-59)54-55(49-16-29-58-30-17-49,28-43-63-31-14-13-15-32-63)45-65(47(7)8)57(52-24-37-61(11-3)38-25-52,53-26-39-62(12-4)40-27-53)56(54,50-20-35-60(10-2)36-21-50)51-22-41-64(42-23-51)44-46(5)6/h46-54,58H,9-45H2,1-8H3
InChIKeyMUMOSXSBGMWOMB-UHFFFAOYSA-N
MW905.55 g/mol
LogP9.21
Rot. Bonds16

About 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine

2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine (PubChem CID 91801630) has the molecular formula C57H108N8 and a molecular weight of 905.55 g/mol. Its IUPAC name is 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
PubChem CID91801630
Molecular FormulaC57H108N8
Molecular Weight905.55 g/mol
Exact Mass904.87
IUPAC Name2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
SMILESCCN1CCC(C2C(CCN3CCCCC3)(C3CCNCC3)CN(C(C)C)C(C3CCN(CC)CC3)(C3CCN(CC)CC3)C2(C2CCN(CC)CC2)C2CCN(CC(C)C)CC2)CC1
InChIInChI=1S/C57H108N8/c1-9-59-33-18-48(19-34-59)54-55(49-16-29-58-30-17-49,28-43-63-31-14-13-15-32-63)45-65(47(7)8)57(52-24-37-61(11-3)38-25-52,53-26-39-62(12-4)40-27-53)56(54,50-20-35-60(10-2)36-21-50)51-22-41-64(42-23-51)44-46(5)6/h46-54,58H,9-45H2,1-8H3
InChIKeyMUMOSXSBGMWOMB-UHFFFAOYSA-N
XLogP9.21
TPSA34.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.55
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine (CID 91801630) is 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine is CCN1CCC(C2C(CCN3CCCCC3)(C3CCNCC3)CN(C(C)C)C(C3CCN(CC)CC3)(C3CCN(CC)CC3)C2(C2CCN(CC)CC2)C2CCN(CC(C)C)CC2)CC1.
What is the InChIKey of 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine?
The InChIKey is MUMOSXSBGMWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H108N8/c1-9-59-33-18-48(19-34-59)54-55(49-16-29-58-30-17-49,28-43-63-31-14-13-15-32-63)45-65(47(7)8)57(52-24-37-61(11-3)38-25-52,53-26-39-62(12-4)40-27-53)56(54,50-20-35-60(10-2)36-21-50)51-22-41-64(42-23-51)44-46(5)6/h46-54,58H,9-45H2,1-8H3.
What are the key properties of 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine?
2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine has a molecular weight of 905.55 g/mol, XLogP of 9.21, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 91801630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).