3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol

C11H24N2O — CID 116860253

IUPAC3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol
SMILESCN1CCN(C(CO)C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O/c1-11(2,3)10(9-14)13-7-5-12(4)6-8-13/h10,14H,5-9H2,1-4H3
InChIKeyKGCXUNJENGSFMC-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds2

About 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol

3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol (PubChem CID 116860253) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol
PubChem CID116860253
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol
SMILESCN1CCN(C(CO)C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O/c1-11(2,3)10(9-14)13-7-5-12(4)6-8-13/h10,14H,5-9H2,1-4H3
InChIKeyKGCXUNJENGSFMC-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol (CID 116860253) is 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol is CN1CCN(C(CO)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol?
The InChIKey is KGCXUNJENGSFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)10(9-14)13-7-5-12(4)6-8-13/h10,14H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol?
3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 116860253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).