2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

C13H28N2O — CID 114597515

IUPAC2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCNC(CO)CCN1CC(C)CC(C)C1C
InChIInChI=1S/C13H28N2O/c1-10-7-11(2)12(3)15(8-10)6-5-13(9-16)14-4/h10-14,16H,5-9H2,1-4H3
InChIKeyLKLPZRUIWQWBKT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds5

About 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (PubChem CID 114597515) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
PubChem CID114597515
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCNC(CO)CCN1CC(C)CC(C)C1C
InChIInChI=1S/C13H28N2O/c1-10-7-11(2)12(3)15(8-10)6-5-13(9-16)14-4/h10-14,16H,5-9H2,1-4H3
InChIKeyLKLPZRUIWQWBKT-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597525
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol
CID 64826359
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597558
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(methylamino)butan-1-ol
CID 102728915
2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
CID 114593809
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
CID 114596367
2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597539
1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596868
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (CID 114597515) is 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is CNC(CO)CCN1CC(C)CC(C)C1C.
What is the InChIKey of 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The InChIKey is LKLPZRUIWQWBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10-7-11(2)12(3)15(8-10)6-5-13(9-16)14-4/h10-14,16H,5-9H2,1-4H3.
What are the key properties of 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 114597515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).