4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine

C51H93N9 — CID 123884106

IUPAC4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine
SMILESC1CCC(C2CC(C3CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCCN3)N2)NC1
InChIInChI=1S/C51H93N9/c1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45/h34-60H,1-33H2
InChIKeyDAZSGVCVOBQNFR-UHFFFAOYSA-N
MW832.37 g/mol
LogP6.08
Rot. Bonds9

About 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine

4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine (PubChem CID 123884106) has the molecular formula C51H93N9 and a molecular weight of 832.37 g/mol. Its IUPAC name is 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine.

Molecular Properties

Compound Name4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine
PubChem CID123884106
Molecular FormulaC51H93N9
Molecular Weight832.37 g/mol
Exact Mass831.76
IUPAC Name4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine
SMILESC1CCC(C2CC(C3CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCCN3)N2)NC1
InChIInChI=1S/C51H93N9/c1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45/h34-60H,1-33H2
InChIKeyDAZSGVCVOBQNFR-UHFFFAOYSA-N
XLogP6.08
TPSA108.27 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.37
LogP ≤ 56.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine with MolForge

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Related Compounds

N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 20574174
N-[[3-(aminomethyl)cyclohexyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine;N'-(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 70436935
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
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
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
(2S,5S)-2-methyl-5-[2-[(3S,6S)-3-methyl-2-azabicyclo[2.2.2]octan-6-yl]ethyl]-1-azabicyclo[2.2.2]octane
CID 138667849
2-[1,3,4,5,6,7,8-Hepta(piperidin-2-yl)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl]piperidine
CID 140490392
2-[1,3,4,5,6,7,8-Hepta(piperidin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]piperidine
CID 140490415
2-[2-[4,8,11-Tris(2-piperidin-2-ylethyl)cyclotetradecyl]ethyl]piperidine
CID 141085357
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
3,3,3-Tris(1-piperidin-4-ylpiperidin-3-yl)propan-1-amine;hydrochloride
CID 142779687

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine?
The IUPAC name of 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine (CID 123884106) is 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine.
What is the SMILES notation for 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine?
The canonical SMILES for 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine is C1CCC(C2CC(C3CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)CC(C4CC(C5CCCCN5)NC(C5CCCCN5)C4)C3)CC(C3CCCCN3)N2)NC1.
What is the InChIKey of 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine?
The InChIKey is DAZSGVCVOBQNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H93N9/c1-7-19-52-40(13-1)46-28-37(29-47(58-46)41-14-2-8-20-53-41)34-25-35(38-30-48(42-15-3-9-21-54-42)59-49(31-38)43-16-4-10-22-55-43)27-36(26-34)39-32-50(44-17-5-11-23-56-44)60-51(33-39)45-18-6-12-24-57-45/h34-60H,1-33H2.
What are the key properties of 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine?
4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine has a molecular weight of 832.37 g/mol, XLogP of 6.08, 9 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine is sourced from PubChem (CID 123884106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).