4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine

C40H79N3 — CID 121247837

IUPAC4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(CCCCCCCCCC(C2CC(C(C)C)NC(C)(C)C2)C2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C40H79N3/c1-28(2)35-22-31(25-38(7,8)41-35)20-18-16-14-13-15-17-19-21-34(32-23-36(29(3)4)42-39(9,10)26-32)33-24-37(30(5)6)43-40(11,12)27-33/h28-37,41-43H,13-27H2,1-12H3
InChIKeyYRQLUKGDIIWZIO-UHFFFAOYSA-N
MW602.09 g/mol
LogP10.52
Rot. Bonds15

About 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine

4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine (PubChem CID 121247837) has the molecular formula C40H79N3 and a molecular weight of 602.09 g/mol. Its IUPAC name is 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine
PubChem CID121247837
Molecular FormulaC40H79N3
Molecular Weight602.09 g/mol
Exact Mass601.63
IUPAC Name4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine
SMILESCC(C)C1CC(CCCCCCCCCC(C2CC(C(C)C)NC(C)(C)C2)C2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C40H79N3/c1-28(2)35-22-31(25-38(7,8)41-35)20-18-16-14-13-15-17-19-21-34(32-23-36(29(3)4)42-39(9,10)26-32)33-24-37(30(5)6)43-40(11,12)27-33/h28-37,41-43H,13-27H2,1-12H3
InChIKeyYRQLUKGDIIWZIO-UHFFFAOYSA-N
XLogP10.52
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.09
LogP ≤ 510.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

4-Fluoro-4-[5-methyl-2-[3-methyl-3-(4-methylpiperidin-4-yl)butyl]-5-piperidin-4-ylhexan-2-yl]piperidine
CID 132147443
1-Tert-butyl-3-fluoro-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 172511305
1-Tert-butyl-4-fluoro-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 172511611
Bis-(1,2,5-trimethyl-4-piperidyl)methylamine
CID 129779312
(2R,6R,7S)-7-butyl-2-pentyl-1,8-diazaspiro[5.5]undecane
CID 11140515
N,N'-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-2-yl]hexane-1,6-diamine
CID 15066273
3,3-Dimethyl-2-azabicyclo[2.2.2]octane
CID 15922264
1,1-Bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 18356383
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;octan-1-amine
CID 19089570
2,2,6,6-tetramethyl-N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]piperidin-4-amine
CID 19937863
N'-(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)-N-[2-[(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl)amino]ethyl]ethane-1,2-diamine
CID 20275482
N-dodecyl-2,6-diethyl-2,3,6-trimethylpiperidin-4-amine
CID 20348249

Frequently Asked Questions

What is the IUPAC name of 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The IUPAC name of 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine (CID 121247837) is 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine.
What is the SMILES notation for 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The canonical SMILES for 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine is CC(C)C1CC(CCCCCCCCCC(C2CC(C(C)C)NC(C)(C)C2)C2CC(C(C)C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
The InChIKey is YRQLUKGDIIWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H79N3/c1-28(2)35-22-31(25-38(7,8)41-35)20-18-16-14-13-15-17-19-21-34(32-23-36(29(3)4)42-39(9,10)26-32)33-24-37(30(5)6)43-40(11,12)27-33/h28-37,41-43H,13-27H2,1-12H3.
What are the key properties of 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine?
4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine has a molecular weight of 602.09 g/mol, XLogP of 10.52, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,10-bis(2,2-dimethyl-6-propan-2-ylpiperidin-4-yl)decyl]-2,2-dimethyl-6-propan-2-ylpiperidine is sourced from PubChem (CID 121247837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).