3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol

C68H148N12O6 — CID 158519391

IUPAC3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)C(O)CN1CCN(C(C)C)CC1.CC(C)N1CCN(CC(C)(C)O)CC1.CC(C)N1CCN(CC(O)C(C)(C)C)CC1.CC(O)C(C)N1CCN(C(C)C)CC1.CC(O)CN1CCN(C(C)C)CC1.CCC(O)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O.C12H26N2O.3C11H24N2O.C10H22N2O/c1-11(2)15-8-6-14(7-9-15)10-12(16)13(3,4)5;1-10(2)12(15)9-13-5-7-14(8-6-13)11(3)4;1-10(2)13-7-5-12(6-8-13)9-11(3,4)14;1-9(2)12-5-7-13(8-6-12)10(3)11(4)14;1-4-11(14)9-12-5-7-13(8-6-12)10(2)3;1-9(2)12-6-4-11(5-7-12)8-10(3)13/h11-12,16H,6-10H2,1-5H3;10-12,15H,5-9H2,1-4H3;10,14H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,14H,4-9H2,1-3H3;9-10,13H,4-8H2,1-3H3
InChIKeyHMAKIMXZHJXHDB-UHFFFAOYSA-N
MW1230.01 g/mol
LogP5.19
Rot. Bonds20

About 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol

3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 158519391) has the molecular formula C68H148N12O6 and a molecular weight of 1230.01 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID158519391
Molecular FormulaC68H148N12O6
Molecular Weight1230.01 g/mol
Exact Mass1229.16
IUPAC Name3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol
SMILESCC(C)C(O)CN1CCN(C(C)C)CC1.CC(C)N1CCN(CC(C)(C)O)CC1.CC(C)N1CCN(CC(O)C(C)(C)C)CC1.CC(O)C(C)N1CCN(C(C)C)CC1.CC(O)CN1CCN(C(C)C)CC1.CCC(O)CN1CCN(C(C)C)CC1
InChIInChI=1S/C13H28N2O.C12H26N2O.3C11H24N2O.C10H22N2O/c1-11(2)15-8-6-14(7-9-15)10-12(16)13(3,4)5;1-10(2)12(15)9-13-5-7-14(8-6-13)11(3)4;1-10(2)13-7-5-12(6-8-13)9-11(3,4)14;1-9(2)12-5-7-13(8-6-12)10(3)11(4)14;1-4-11(14)9-12-5-7-13(8-6-12)10(2)3;1-9(2)12-6-4-11(5-7-12)8-10(3)13/h11-12,16H,6-10H2,1-5H3;10-12,15H,5-9H2,1-4H3;10,14H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,14H,4-9H2,1-3H3;9-10,13H,4-8H2,1-3H3
InChIKeyHMAKIMXZHJXHDB-UHFFFAOYSA-N
XLogP5.19
TPSA160.26 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001230.01
LogP ≤ 55.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol (CID 158519391) is 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol is CC(C)C(O)CN1CCN(C(C)C)CC1.CC(C)N1CCN(CC(C)(C)O)CC1.CC(C)N1CCN(CC(O)C(C)(C)C)CC1.CC(O)C(C)N1CCN(C(C)C)CC1.CC(O)CN1CCN(C(C)C)CC1.CCC(O)CN1CCN(C(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is HMAKIMXZHJXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.C12H26N2O.3C11H24N2O.C10H22N2O/c1-11(2)15-8-6-14(7-9-15)10-12(16)13(3,4)5;1-10(2)12(15)9-13-5-7-14(8-6-13)11(3)4;1-10(2)13-7-5-12(6-8-13)9-11(3,4)14;1-9(2)12-5-7-13(8-6-12)10(3)11(4)14;1-4-11(14)9-12-5-7-13(8-6-12)10(2)3;1-9(2)12-6-4-11(5-7-12)8-10(3)13/h11-12,16H,6-10H2,1-5H3;10-12,15H,5-9H2,1-4H3;10,14H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-11,14H,4-9H2,1-3H3;9-10,13H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol?
3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 1230.01 g/mol, XLogP of 5.19, 20 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;3-(4-propan-2-ylpiperazin-1-yl)butan-2-ol;1-(4-propan-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 158519391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).