4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine

C18H33N3S2 — CID 5255482

IUPAC4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine
SMILESC1CCC(C2CC(C3CSSC3)CC(C3CCCCN3)N2)NC1
InChIInChI=1S/C18H33N3S2/c1-3-7-19-15(5-1)17-9-13(14-11-22-23-12-14)10-18(21-17)16-6-2-4-8-20-16/h13-21H,1-12H2
InChIKeyDFFROPFLDFYPME-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.02
Rot. Bonds3

About 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine

4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine (PubChem CID 5255482) has the molecular formula C18H33N3S2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine.

Molecular Properties

Compound Name4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine
PubChem CID5255482
Molecular FormulaC18H33N3S2
Molecular Weight355.62 g/mol
Exact Mass355.21
IUPAC Name4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine
SMILESC1CCC(C2CC(C3CSSC3)CC(C3CCCCN3)N2)NC1
InChIInChI=1S/C18H33N3S2/c1-3-7-19-15(5-1)17-9-13(14-11-22-23-12-14)10-18(21-17)16-6-2-4-8-20-16/h13-21H,1-12H2
InChIKeyDFFROPFLDFYPME-UHFFFAOYSA-N
XLogP3.02
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

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CID 14810994
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CID 92720077
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620
2-(thiolan-3-yl)piperidine
CID 82653358
2-cycloheptylpiperidine;hydrochloride
CID 115030388
1,2,3,4,5,5a,6,7,8,8a-decahydrocyclopenta[b][1,4]diazepine
CID 66851093
2-pyrrolidin-3-ylpiperidine
CID 54510813
2-cyclopentylpyrrolidine
CID 4031549
(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
CID 12014113

Frequently Asked Questions

What is the IUPAC name of 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine?
The IUPAC name of 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine (CID 5255482) is 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine.
What is the SMILES notation for 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine?
The canonical SMILES for 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine is C1CCC(C2CC(C3CSSC3)CC(C3CCCCN3)N2)NC1.
What is the InChIKey of 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine?
The InChIKey is DFFROPFLDFYPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3S2/c1-3-7-19-15(5-1)17-9-13(14-11-22-23-12-14)10-18(21-17)16-6-2-4-8-20-16/h13-21H,1-12H2.
What are the key properties of 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine?
4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine has a molecular weight of 355.62 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dithiolan-4-yl)-2,6-di(piperidin-2-yl)piperidine is sourced from PubChem (CID 5255482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).