2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol

C11H25N3O — CID 64797303

IUPAC2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
SMILESCNC(CO)CN1CCN(C(C)C)CC1
InChIInChI=1S/C11H25N3O/c1-10(2)14-6-4-13(5-7-14)8-11(9-15)12-3/h10-12,15H,4-9H2,1-3H3
InChIKeyRSMLUYHRHRSONA-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.41
Rot. Bonds5

About 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol

2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 64797303) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID64797303
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
SMILESCNC(CO)CN1CCN(C(C)C)CC1
InChIInChI=1S/C11H25N3O/c1-10(2)14-6-4-13(5-7-14)8-11(9-15)12-3/h10-12,15H,4-9H2,1-3H3
InChIKeyRSMLUYHRHRSONA-UHFFFAOYSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol (CID 64797303) is 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol is CNC(CO)CN1CCN(C(C)C)CC1.
What is the InChIKey of 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is RSMLUYHRHRSONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10(2)14-6-4-13(5-7-14)8-11(9-15)12-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol?
2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 64797303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).