1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C62H134N14O3 — CID 160887531

IUPAC1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(C)(C)C(N)=O)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(CCN(C)C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.COCCN1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O.C11H25N3.C11H24N2.C10H22N2O.C10H20N2O.C9H20N2/c1-9(2)13-5-7-14(8-6-13)11(3,4)10(12)15;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3/h9H,5-8H2,1-4H3,(H2,12,15);11H,5-10H2,1-4H3;10H,6-9H2,1-5H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9H,4-8H2,1-3H3
InChIKeySNVKUYVEKHTUFU-UHFFFAOYSA-N
MW1123.85 g/mol
LogP5.30
Rot. Bonds16

About 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 160887531) has the molecular formula C62H134N14O3 and a molecular weight of 1123.85 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID160887531
Molecular FormulaC62H134N14O3
Molecular Weight1123.85 g/mol
Exact Mass1123.08
IUPAC Name1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(C)(C)C(N)=O)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(CCN(C)C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.COCCN1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3O.C11H25N3.C11H24N2.C10H22N2O.C10H20N2O.C9H20N2/c1-9(2)13-5-7-14(8-6-13)11(3,4)10(12)15;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3/h9H,5-8H2,1-4H3,(H2,12,15);11H,5-10H2,1-4H3;10H,6-9H2,1-5H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9H,4-8H2,1-3H3
InChIKeySNVKUYVEKHTUFU-UHFFFAOYSA-N
XLogP5.30
TPSA111.51 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.85
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

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
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
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-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 161336371
[(3S)-4-tert-butylmorpholin-3-yl]methanol;[(3R)-4-tert-butylmorpholin-3-yl]methanol;N,N-dimethyl-2-[(2R)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetamide;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2-[(2R,5S)-4-(2,2-dimethylpropyl)-2,5-dimethylpiperazin-1-yl]-N,N-dimethylacetamide;1-(2,2-dimethylpropyl)piperazine
CID 161440494

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 160887531) is 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(C)(C)C(N)=O)CC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CCN(CCN(C)C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.COCCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is SNVKUYVEKHTUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.C11H25N3.C11H24N2.C10H22N2O.C10H20N2O.C9H20N2/c1-9(2)13-5-7-14(8-6-13)11(3,4)10(12)15;1-11(2)14-9-7-13(8-10-14)6-5-12(3)4;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-10(2)12-6-4-11(5-7-12)8-9-13-3;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3/h9H,5-8H2,1-4H3,(H2,12,15);11H,5-10H2,1-4H3;10H,6-9H2,1-5H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;9H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 1123.85 g/mol, XLogP of 5.30, 16 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;1-ethyl-4-propan-2-ylpiperazine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propanamide;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 160887531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).