2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol

C12H26N2O — CID 114495323

IUPAC2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
SMILESCCCN1CCN(CC(C)(O)CC)CC1
InChIInChI=1S/C12H26N2O/c1-4-6-13-7-9-14(10-8-13)11-12(3,15)5-2/h15H,4-11H2,1-3H3
InChIKeyONRCAVMBYOUPHS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.17
Rot. Bonds5

About 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol

2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol (PubChem CID 114495323) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
PubChem CID114495323
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
SMILESCCCN1CCN(CC(C)(O)CC)CC1
InChIInChI=1S/C12H26N2O/c1-4-6-13-7-9-14(10-8-13)11-12(3,15)5-2/h15H,4-11H2,1-3H3
InChIKeyONRCAVMBYOUPHS-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine
CID 79812652
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62263340
2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
CID 62270175
2-[4-(2-hydroxy-2-methylbutyl)piperazin-1-yl]propanenitrile
CID 114493821
tert-butyl 4-(2-hydroxy-2-methylbutyl)piperazine-1-carboxylate
CID 114518427
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal
CID 62278455
1-(3,3-dipropylazetidin-1-yl)-2-methylbutan-2-ol
CID 104549849
1-tert-butyl-4-propylpiperazine
CID 58721754
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
CID 142420911
1-amino-2-methyl-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 64819199
1-(azepan-1-yl)-2-methylpentan-2-ol
CID 106291182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol (CID 114495323) is 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol is CCCN1CCN(CC(C)(O)CC)CC1.
What is the InChIKey of 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol?
The InChIKey is ONRCAVMBYOUPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-13-7-9-14(10-8-13)11-12(3,15)5-2/h15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol?
2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 114495323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).