4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine

C50H107N3 — CID 142368533

IUPAC4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESC.CC.CC.CC(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)C2CCN(C)CC2)CC1.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C24H48N2.C21H43N.2C2H6.CH4/c1-19(2)24(7,8)21-12-16-26(17-13-21)23(5,6)18-22(3,4)20-10-14-25(9)15-11-20;1-11-19(5,6)21(9,10)17-12-14-22(15-13-17)20(7,8)16-18(2,3)4;2*1-2;/h19-21H,10-18H2,1-9H3;17H,11-16H2,1-10H3;2*1-2H3;1H4
InChIKeyHEGSGSNSAMDHIP-UHFFFAOYSA-N
MW750.43 g/mol
LogP14.98
Rot. Bonds11

About 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine

4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine (PubChem CID 142368533) has the molecular formula C50H107N3 and a molecular weight of 750.43 g/mol. Its IUPAC name is 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine
PubChem CID142368533
Molecular FormulaC50H107N3
Molecular Weight750.43 g/mol
Exact Mass749.85
IUPAC Name4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESC.CC.CC.CC(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)C2CCN(C)CC2)CC1.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)C)CC1
InChIInChI=1S/C24H48N2.C21H43N.2C2H6.CH4/c1-19(2)24(7,8)21-12-16-26(17-13-21)23(5,6)18-22(3,4)20-10-14-25(9)15-11-20;1-11-19(5,6)21(9,10)17-12-14-22(15-13-17)20(7,8)16-18(2,3)4;2*1-2;/h19-21H,10-18H2,1-9H3;17H,11-16H2,1-10H3;2*1-2H3;1H4
InChIKeyHEGSGSNSAMDHIP-UHFFFAOYSA-N
XLogP14.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.43
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine with MolForge

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Related Compounds

2,2,6,6-Tetramethyl-1-azabicyclo[2.2.2]octane
CID 160186
1,2,2,6,6-Pentamethyl-1-azoniabicyclo[2.2.2]octane
CID 162047
1-Tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
CID 144929218
(4R,6S)-1,4-ditert-butyl-2-[[(2R,4S)-1-tert-butyl-4-methylpiperidin-2-yl]methyl]-6-[[(4S,6R)-1-tert-butyl-4-methyl-6-(trifluoromethyl)piperidin-2-yl]methyl]piperidine
CID 146656702
(6R)-1,4-ditert-butyl-2-[[(2S)-1,4-ditert-butyl-6-[[(2R)-1,4-ditert-butylpiperidin-2-yl]methyl]piperidin-2-yl]methyl]-6-(trifluoromethyl)piperidine
CID 146657050
(2S,4S)-1-tert-butyl-2,4-dimethylpiperidine;(2R,4R)-1-tert-butyl-2,4-dimethylpiperidine;1,4-ditert-butyl-2-(trifluoromethyl)piperidine
CID 159237982
(2S,4S)-1-tert-butyl-2,4-dimethylpiperidine;(2R,4R)-1-tert-butyl-2,4-dimethylpiperidine;1,4-ditert-butyl-2-(trifluoromethyl)piperidine;ethane
CID 161146918
4-Tert-butyl-1-[5-(1-tert-butylpiperidin-3-yl)-2-methylhexan-2-yl]-4-fluoropiperidine
CID 169847791
4-(1-Tert-butylpiperidin-4-yl)-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
CID 171723123
1-Tert-butyl-4-[[4-(1-tert-butylpiperidin-4-yl)piperidin-1-yl]methyl]-3-fluoropiperidine
CID 172110514
7-Tert-butyl-2-[4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidin-1-yl]-7-azaspiro[3.5]nonane
CID 172511470
1-(1-Tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
CID 172511522

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine?
The IUPAC name of 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine (CID 142368533) is 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine.
What is the SMILES notation for 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine?
The canonical SMILES for 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine is C.CC.CC.CC(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)C2CCN(C)CC2)CC1.CCC(C)(C)C(C)(C)C1CCN(C(C)(C)CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine?
The InChIKey is HEGSGSNSAMDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2.C21H43N.2C2H6.CH4/c1-19(2)24(7,8)21-12-16-26(17-13-21)23(5,6)18-22(3,4)20-10-14-25(9)15-11-20;1-11-19(5,6)21(9,10)17-12-14-22(15-13-17)20(7,8)16-18(2,3)4;2*1-2;/h19-21H,10-18H2,1-9H3;17H,11-16H2,1-10H3;2*1-2H3;1H4.
What are the key properties of 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine?
4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine has a molecular weight of 750.43 g/mol, XLogP of 14.98, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutan-2-yl)-1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperidine;ethane;methane;4-(2,3,3-trimethylpentan-2-yl)-1-(2,4,4-trimethylpentan-2-yl)piperidine is sourced from PubChem (CID 142368533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).