2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol

C12H26N2O — CID 116959958

IUPAC2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol
SMILESCCC(CO)C(NC)C1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-4-10(9-15)12(13-2)11-5-7-14(3)8-6-11/h10-13,15H,4-9H2,1-3H3
InChIKeyYSYLCSUAXBYLBS-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.93
Rot. Bonds5

About 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol

2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol (PubChem CID 116959958) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol
PubChem CID116959958
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol
SMILESCCC(CO)C(NC)C1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-4-10(9-15)12(13-2)11-5-7-14(3)8-6-11/h10-13,15H,4-9H2,1-3H3
InChIKeyYSYLCSUAXBYLBS-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol?
The IUPAC name of 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol (CID 116959958) is 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol?
The canonical SMILES for 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol is CCC(CO)C(NC)C1CCN(C)CC1.
What is the InChIKey of 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol?
The InChIKey is YSYLCSUAXBYLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-10(9-15)12(13-2)11-5-7-14(3)8-6-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol?
2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol is sourced from PubChem (CID 116959958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).