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

C35H77N7 — CID 158335808

IUPAC1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C8H18N2.C8H17N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyGQOIAXFGBKCWHY-UHFFFAOYSA-N
MW596.05 g/mol
LogP4.98
Rot. Bonds6

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

1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine (PubChem CID 158335808) has the molecular formula C35H77N7 and a molecular weight of 596.05 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-ylpiperidine.

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-ylpiperidine
PubChem CID158335808
Molecular FormulaC35H77N7
Molecular Weight596.05 g/mol
Exact Mass595.62
IUPAC Name1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine
SMILESCC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2.C9H20N2.C8H18N2.C8H17N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyGQOIAXFGBKCWHY-UHFFFAOYSA-N
XLogP4.98
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.05
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-ylpiperidine?
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-ylpiperidine (CID 158335808) is 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine.
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-ylpiperidine?
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-ylpiperidine is CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(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-ylpiperidine?
The InChIKey is GQOIAXFGBKCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H20N2.C8H18N2.C8H17N/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3.
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-ylpiperidine?
1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine has a molecular weight of 596.05 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-ylpiperidine is sourced from PubChem (CID 158335808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).