1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol

C58H122N12O4 — CID 161255532

IUPAC1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H18N2O.C9H19N.2C8H16N2O.2C8H18N2.C8H17NO/c1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9/h7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3
InChIKeyVBVZHYXVORYURF-UHFFFAOYSA-N
MW1051.69 g/mol
LogP5.37
Rot. Bonds8

About 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol

1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol (PubChem CID 161255532) has the molecular formula C58H122N12O4 and a molecular weight of 1051.69 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
PubChem CID161255532
Molecular FormulaC58H122N12O4
Molecular Weight1051.69 g/mol
Exact Mass1050.97
IUPAC Name1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H18N2O.C9H19N.2C8H16N2O.2C8H18N2.C8H17NO/c1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9/h7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3
InChIKeyVBVZHYXVORYURF-UHFFFAOYSA-N
XLogP5.37
TPSA155.88 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001051.69
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-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 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol (CID 161255532) is 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1=O.CC1CCN(C(C)C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
The InChIKey is VBVZHYXVORYURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H19N.2C8H16N2O.2C8H18N2.C8H17NO/c1-7(2)11-5-3-8(4-6-11)9(10)12;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-4-9(3)8(11)6-10;1-7(2)10-5-4-9(3)6-8(10)11;1-8(2)10-6-4-9(3)5-7-10;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9/h7-8H,3-6H2,1-2H3,(H2,10,12);8-9H,4-7H2,1-3H3;2*7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol?
1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol has a molecular weight of 1051.69 g/mol, XLogP of 5.37, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperazin-2-one;4-methyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 161255532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).