4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol

C14H31N3O — CID 64827179

IUPAC4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(2,3)17-10-8-16(9-11-17)7-6-14(4,12-18)15-5/h15,18H,6-12H2,1-5H3
InChIKeyZGMHYAFXZOJJOV-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds5

About 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol

4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64827179) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64827179
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCNC(C)(CO)CCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-13(2,3)17-10-8-16(9-11-17)7-6-14(4,12-18)15-5/h15,18H,6-12H2,1-5H3
InChIKeyZGMHYAFXZOJJOV-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
CID 64798619
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64791015
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65286303
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64825671
2-methyl-2-(methylamino)-5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 64797300
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64798555
3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64826782
2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64790274
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol (CID 64827179) is 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol is CNC(C)(CO)CCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is ZGMHYAFXZOJJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-13(2,3)17-10-8-16(9-11-17)7-6-14(4,12-18)15-5/h15,18H,6-12H2,1-5H3.
What are the key properties of 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64827179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).