1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol

C10H22N2O — CID 116859527

IUPAC1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol
SMILESCNC(C(C)O)C1CCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-8(13)10(11-2)9-4-6-12(3)7-5-9/h8-11,13H,4-7H2,1-3H3
InChIKeyGDGNOIPXIZVVGY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.30
Rot. Bonds3

About 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol

1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol (PubChem CID 116859527) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol
PubChem CID116859527
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol
SMILESCNC(C(C)O)C1CCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-8(13)10(11-2)9-4-6-12(3)7-5-9/h8-11,13H,4-7H2,1-3H3
InChIKeyGDGNOIPXIZVVGY-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol?
The IUPAC name of 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol (CID 116859527) is 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol is CNC(C(C)O)C1CCN(C)CC1.
What is the InChIKey of 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol?
The InChIKey is GDGNOIPXIZVVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(13)10(11-2)9-4-6-12(3)7-5-9/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol?
1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol is sourced from PubChem (CID 116859527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).