1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine

C49H108N10O — CID 157286376

IUPAC1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine
SMILESCC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)OCCN1CCN(C(C)C)CC1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O.2C10H22N2.C9H20N2.C8H18N2/c1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h11-12H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyBAGXNXWPVCRSCM-UHFFFAOYSA-N
MW853.47 g/mol
LogP5.96
Rot. Bonds13

About 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine

1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine (PubChem CID 157286376) has the molecular formula C49H108N10O and a molecular weight of 853.47 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine
PubChem CID157286376
Molecular FormulaC49H108N10O
Molecular Weight853.47 g/mol
Exact Mass852.87
IUPAC Name1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine
SMILESCC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)OCCN1CCN(C(C)C)CC1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C12H26N2O.2C10H22N2.C9H20N2.C8H18N2/c1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h11-12H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyBAGXNXWPVCRSCM-UHFFFAOYSA-N
XLogP5.96
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500853.47
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine?
The IUPAC name of 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine (CID 157286376) is 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine.
What is the SMILES notation for 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine?
The canonical SMILES for 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine is CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)OCCN1CCN(C(C)C)CC1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine?
The InChIKey is BAGXNXWPVCRSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.2C10H22N2.C9H20N2.C8H18N2/c1-11(2)14-7-5-13(6-8-14)9-10-15-12(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h11-12H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine?
1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine has a molecular weight of 853.47 g/mol, XLogP of 5.96, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine;1-propan-2-yl-4-propylpiperazine is sourced from PubChem (CID 157286376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).