tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone

C63H130N12O7 — CID 158129059

IUPACtert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C)CC1.COCCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2.C12H24N2O2.C11H22N2O.C10H22N2O.C9H18N2O.C8H18N2/c1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10/h10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyFSNSSFAGWCNGBG-UHFFFAOYSA-N
MW1167.81 g/mol
LogP7.34
Rot. Bonds10

About tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone

tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 158129059) has the molecular formula C63H130N12O7 and a molecular weight of 1167.81 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID158129059
Molecular FormulaC63H130N12O7
Molecular Weight1167.81 g/mol
Exact Mass1167.02
IUPAC Nametert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C)CC1.COCCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O2.C12H24N2O2.C11H22N2O.C10H22N2O.C9H18N2O.C8H18N2/c1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10/h10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyFSNSSFAGWCNGBG-UHFFFAOYSA-N
XLogP7.34
TPSA134.85 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001167.81
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone 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

Tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
CID 158091013
Tert-butyl 2,6-dimethylpiperazine-1-carboxylate;tert-butyl 2-(methoxymethyl)-6-methylpiperazine-1-carboxylate;tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate;tert-butyl 3-methylpiperazine-1-carboxylate;tert-butyl 3-propan-2-ylpiperazine-1-carboxylate
CID 159349141
Tert-butyl 4-tert-butyl-2-methylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 160318318

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 158129059) is tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)OC(C)(C)C)C(C)C1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C)CC1.COCCN1CCN(C(C)C)CC1.
What is the InChIKey of tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FSNSSFAGWCNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C12H24N2O2.C11H22N2O.C10H22N2O.C9H18N2O.C8H18N2/c1-10(2)14-7-8-15(11(3)9-14)12(16)17-13(4,5)6;1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)10-6-4-9(3)5-7-10/h10-11H,7-9H2,1-6H3;10H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone?
tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 1167.81 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-propan-2-ylpiperazine-1-carboxylate;tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158129059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).