1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane

C71H149N13O4 — CID 159810642

IUPAC1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane
SMILESC.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC1CN(C)CCN1C(C)(C)C.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2O.C11H24N2O.C11H22N2.C10H22N2.C9H18N2O.C9H20N2.C9H17NO.CH4/c1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-9-8-11(5)6-7-12(9)10(2,3)4;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8(10)11;/h10H,4-9H2,1-3H3;5-10H2,1-4H3;10H,4-9H2,1-3H3;9H,6-8H2,1-5H3;5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;1H4
InChIKeyNKZBMLQCUPEWQT-UHFFFAOYSA-N
MW1249.06 g/mol
LogP8.86
Rot. Bonds5

About 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane

1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane (PubChem CID 159810642) has the molecular formula C71H149N13O4 and a molecular weight of 1249.06 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane.

Molecular Properties

Compound Name1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane
PubChem CID159810642
Molecular FormulaC71H149N13O4
Molecular Weight1249.06 g/mol
Exact Mass1248.19
IUPAC Name1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane
SMILESC.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC1CN(C)CCN1C(C)(C)C.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H22N2O.C11H24N2O.C11H22N2.C10H22N2.C9H18N2O.C9H20N2.C9H17NO.CH4/c1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-9-8-11(5)6-7-12(9)10(2,3)4;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8(10)11;/h10H,4-9H2,1-3H3;5-10H2,1-4H3;10H,4-9H2,1-3H3;9H,6-8H2,1-5H3;5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;1H4
InChIKeyNKZBMLQCUPEWQT-UHFFFAOYSA-N
XLogP8.86
TPSA94.72 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.06
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane with MolForge

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

Launch Full Analysis

Related Compounds

4-Methyl-1-(1-methylpiperidin-4-yl)piperazin-2-one;4-(1-methylpiperidin-4-yl)morpholin-3-one;1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 91351954
3-Tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one
CID 159255361
3-Tert-butyl-1,4-dimethylpiperazin-2-one;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;methane
CID 161092486
1-Tert-butyl-4-cyclobutylpiperazine;1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butylpiperidin-2-one
CID 163811810

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane?
The IUPAC name of 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane (CID 159810642) is 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane.
What is the SMILES notation for 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane?
The canonical SMILES for 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane is C.CC(C)(C)N1CCCCC1=O.CC(C)(C)N1CCN(C2CC2)CC1.CC(C)(C)N1CCN(C2COC2)CC1.CC1CN(C)CCN1C(C)(C)C.CN1CCN(C(C)(C)C)C(=O)C1.CN1CCN(C(C)(C)C)CC1.COCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane?
The InChIKey is NKZBMLQCUPEWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C11H24N2O.C11H22N2.C10H22N2.C9H18N2O.C9H20N2.C9H17NO.CH4/c1-11(2,3)13-6-4-12(5-7-13)10-8-14-9-10;1-11(2,3)13-7-5-12(6-8-13)9-10-14-4;1-11(2,3)13-8-6-12(7-9-13)10-4-5-10;1-9-8-11(5)6-7-12(9)10(2,3)4;1-9(2,3)11-6-5-10(4)7-8(11)12;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8(10)11;/h10H,4-9H2,1-3H3;5-10H2,1-4H3;10H,4-9H2,1-3H3;9H,6-8H2,1-5H3;5-7H2,1-4H3;5-8H2,1-4H3;4-7H2,1-3H3;1H4.
What are the key properties of 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane?
1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane has a molecular weight of 1249.06 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclopropylpiperazine;1-tert-butyl-2,4-dimethylpiperazine;1-tert-butyl-4-(2-methoxyethyl)piperazine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperazin-2-one;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butylpiperidin-2-one;methane is sourced from PubChem (CID 159810642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).