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

C11H24N2O — CID 66452170

IUPAC3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
SMILESCC(O)C(C)(C)CN1CCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-10(14)11(2,3)9-13-7-5-12(4)6-8-13/h10,14H,5-9H2,1-4H3
InChIKeyMTOXXZIHEAYOJF-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds3

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

3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol (PubChem CID 66452170) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
PubChem CID66452170
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol
SMILESCC(O)C(C)(C)CN1CCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-10(14)11(2,3)9-13-7-5-12(4)6-8-13/h10,14H,5-9H2,1-4H3
InChIKeyMTOXXZIHEAYOJF-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 66453823
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
3,3-dimethyl-4-(1,4-thiazepan-4-yl)butan-2-ol
CID 66453476
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66453045
3,3-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-ol
CID 79170230
4-(3,3-difluoropyrrolidin-1-yl)-3,3-dimethylbutan-2-ol
CID 130624309
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764
4-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452172
4-(2,6-dimethylthiomorpholin-4-yl)-3,3-dimethylbutan-2-ol
CID 66454350
1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 64819199

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol (CID 66452170) is 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol is CC(O)C(C)(C)CN1CCN(C)CC1.
What is the InChIKey of 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol?
The InChIKey is MTOXXZIHEAYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(14)11(2,3)9-13-7-5-12(4)6-8-13/h10,14H,5-9H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol?
3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 66452170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).