4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane

C34H64N8 — CID 142289108

IUPAC4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane
SMILESC1CCC(C2CC(C3CCC(C4CC(C5CCCCN5)NC(C5CCCCN5)N4)CC3)NC(C3CCCCN3)N2)NC1
InChIInChI=1S/C34H64N8/c1-5-17-35-25(9-1)31-21-29(39-33(41-31)27-11-3-7-19-37-27)23-13-15-24(16-14-23)30-22-32(26-10-2-6-18-36-26)42-34(40-30)28-12-4-8-20-38-28/h23-42H,1-22H2
InChIKeySUINQPZBXUJMTD-UHFFFAOYSA-N
MW584.94 g/mol
LogP2.65
Rot. Bonds6

About 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane

4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane (PubChem CID 142289108) has the molecular formula C34H64N8 and a molecular weight of 584.94 g/mol. Its IUPAC name is 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane.

Molecular Properties

Compound Name4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane
PubChem CID142289108
Molecular FormulaC34H64N8
Molecular Weight584.94 g/mol
Exact Mass584.53
IUPAC Name4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane
SMILESC1CCC(C2CC(C3CCC(C4CC(C5CCCCN5)NC(C5CCCCN5)N4)CC3)NC(C3CCCCN3)N2)NC1
InChIInChI=1S/C34H64N8/c1-5-17-35-25(9-1)31-21-29(39-33(41-31)27-11-3-7-19-37-27)23-13-15-24(16-14-23)30-22-32(26-10-2-6-18-36-26)42-34(40-30)28-12-4-8-20-38-28/h23-42H,1-22H2
InChIKeySUINQPZBXUJMTD-UHFFFAOYSA-N
XLogP2.65
TPSA96.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.94
LogP ≤ 52.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane with MolForge

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

Launch Full Analysis

Related Compounds

34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
2,10,18,25,27,28,30,31,33-Nonazaheptacyclo[17.5.3.33,9.311,17.022,26.06,32.014,29]tritriacontane
CID 90932539
3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 91072495
4-[3,5-Bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine
CID 123884106
1-(2,2-Dimethylpropyl)-4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane
CID 134268577
4-(1,3-Diazinan-2-yl)-1-[[4-[[4-(1,3-diazinan-2-yl)-1-methylpiperazin-1-ium-1-yl]methyl]cyclohexyl]methyl]-1-methylpiperazin-1-ium
CID 140419496
1-(1,3-Diazinan-2-yl)-4-[[4-[[4-(1,3-diazinan-2-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]piperazine
CID 140419504
3-(1,3-Diazinan-2-yl)-2-(1,3-diazinan-4-yl)-2-(1,3-diazinan-5-yl)-1-piperazin-1-ylpiperazine
CID 141040416
1,4-Dimethylcyclohexane;tetrakis(2,5-dimethyl-1,3-diazinane);bis(2,5-dimethylpiperidine);methane;hexahydrate
CID 157651289
Ethane;propan-2-ylcyclohexane;1-propan-2-yl-1,3-diazinane;2-propan-2-yl-1,3-diazinane;4-propan-2-yl-1,3-diazinane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine
CID 157767555
Bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline);1,2,3,4,4a,5,6,7,8,8a-decahydro-1,6-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydro-1,7-naphthyridine;1,2,3,4,4a,5,6,7,8,8a-decahydroquinazoline;ethane
CID 158036166

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane?
The IUPAC name of 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane (CID 142289108) is 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane.
What is the SMILES notation for 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane?
The canonical SMILES for 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane is C1CCC(C2CC(C3CCC(C4CC(C5CCCCN5)NC(C5CCCCN5)N4)CC3)NC(C3CCCCN3)N2)NC1.
What is the InChIKey of 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane?
The InChIKey is SUINQPZBXUJMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64N8/c1-5-17-35-25(9-1)31-21-29(39-33(41-31)27-11-3-7-19-37-27)23-13-15-24(16-14-23)30-22-32(26-10-2-6-18-36-26)42-34(40-30)28-12-4-8-20-38-28/h23-42H,1-22H2.
What are the key properties of 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane?
4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane has a molecular weight of 584.94 g/mol, XLogP of 2.65, 6 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,6-di(piperidin-2-yl)-1,3-diazinan-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)-1,3-diazinane is sourced from PubChem (CID 142289108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).