4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine

C21H42N2 — CID 126570343

IUPAC4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine
SMILESCC1CCN(C(C)(C)C(C)(C)C2CCN(C(C)C)C(C)C2)CC1
InChIInChI=1S/C21H42N2/c1-16(2)23-14-11-19(15-18(23)4)20(5,6)21(7,8)22-12-9-17(3)10-13-22/h16-19H,9-15H2,1-8H3
InChIKeyMWUMGDFUDLSHEH-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.03
Rot. Bonds4

About 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine

4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine (PubChem CID 126570343) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine
PubChem CID126570343
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine
SMILESCC1CCN(C(C)(C)C(C)(C)C2CCN(C(C)C)C(C)C2)CC1
InChIInChI=1S/C21H42N2/c1-16(2)23-14-11-19(15-18(23)4)20(5,6)21(7,8)22-12-9-17(3)10-13-22/h16-19H,9-15H2,1-8H3
InChIKeyMWUMGDFUDLSHEH-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine with MolForge

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Related Compounds

Bertosamil
CID 16092093
3-(2-Methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
CID 65956
3,7-Di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane
CID 10685250
9-Butyl-9-ethyl-3,7-dihexyl-3,7-diazabicyclo[3.3.1]nonane
CID 10809691
2,2,6,6-Tetramethyl-1-[13-(2,2,6,6-tetramethylpiperidin-1-yl)tridecyl]piperidine
CID 46232835
9-Methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane
CID 10825682
9,9-Dibutyl-3-(cyclohexylmethyl)-7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonane
CID 44340473
2,2,6,6-Tetramethyl-1-[10-(2,2,6,6-tetramethylpiperidin-1-yl)decyl]piperidine
CID 46232797
2,2,6,6-Tetramethyl-1-[12-(2,2,6,6-tetramethylpiperidin-1-yl)dodecyl]piperidine
CID 46232834
2,2,6,6-Tetramethyl-1-[9-(2,2,6,6-tetramethylpiperidin-1-yl)nonyl]piperidine
CID 46232796
2,2,6,6-Tetramethyl-1-[11-(2,2,6,6-tetramethylpiperidin-1-yl)undecyl]piperidine
CID 46232798
(1S,5R)-3-(2-Methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
CID 10708818

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine (CID 126570343) is 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine is CC1CCN(C(C)(C)C(C)(C)C2CCN(C(C)C)C(C)C2)CC1.
What is the InChIKey of 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine?
The InChIKey is MWUMGDFUDLSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-16(2)23-14-11-19(15-18(23)4)20(5,6)21(7,8)22-12-9-17(3)10-13-22/h16-19H,9-15H2,1-8H3.
What are the key properties of 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine?
4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine has a molecular weight of 322.58 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dimethyl-3-(4-methylpiperidin-1-yl)butan-2-yl]-2-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 126570343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).