1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane

C15H34N2O — CID 142327129

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane
SMILESCC.CN1CCC(C)(CN(C)CC(C)(C)O)CC1
InChIInChI=1S/C13H28N2O.C2H6/c1-12(2,16)10-15(5)11-13(3)6-8-14(4)9-7-13;1-2/h16H,6-11H2,1-5H3;1-2H3
InChIKeyOPKYFLOZYJGXCU-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.45
Rot. Bonds4

About 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane

1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane (PubChem CID 142327129) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane
PubChem CID142327129
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane
SMILESCC.CN1CCC(C)(CN(C)CC(C)(C)O)CC1
InChIInChI=1S/C13H28N2O.C2H6/c1-12(2,16)10-15(5)11-13(3)6-8-14(4)9-7-13;1-2/h16H,6-11H2,1-5H3;1-2H3
InChIKeyOPKYFLOZYJGXCU-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl-methylamino]methyl]phenyl]-2-methylbutan-2-ol
CID 95897206
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
2-methyl-1-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-2-ol
CID 63236517
2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanethioamide
CID 79381058
2-methyl-1-[methyl(3-morpholin-4-ylpropyl)amino]propan-2-ol
CID 111488087
3-[(1,4-dimethylpiperidin-4-yl)methyl]-1,1-dimethylurea
CID 103993093
2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol
CID 79377975
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-3-(3-hydroxy-3-methylbutyl)-N-methylbenzamide
CID 95862431
1-(dimethylamino)-2-methylpropan-2-ol;ethane
CID 162022408
1-[ethyl(methyl)amino]-2-methylpropan-2-ol;titanium
CID 58881638
ethane;N-methyl-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 144654018
ethane;2-[methyl-[(1-methylcyclopropyl)methyl]amino]ethyl-[(1-methylpiperidin-4-yl)methyl]azanide;vanadium
CID 172589539

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane (CID 142327129) is 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane is CC.CN1CCC(C)(CN(C)CC(C)(C)O)CC1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane?
The InChIKey is OPKYFLOZYJGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.C2H6/c1-12(2,16)10-15(5)11-13(3)6-8-14(4)9-7-13;1-2/h16H,6-11H2,1-5H3;1-2H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane?
1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane has a molecular weight of 258.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperidin-4-yl)methyl-methylamino]-2-methylpropan-2-ol;ethane is sourced from PubChem (CID 142327129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).