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

C42H92N8 — CID 158835822

IUPAC1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(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.C7H15N/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;1-7(2)8-5-3-4-6-8/h9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIXPVTWYAYOIYQN-UHFFFAOYSA-N
MW709.25 g/mol
LogP6.47
Rot. Bonds7

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-propan-2-ylpyrrolidine

1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158835822) has the molecular formula C42H92N8 and a molecular weight of 709.25 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;1-propan-2-ylpyrrolidine.

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;1-propan-2-ylpyrrolidine
PubChem CID158835822
Molecular FormulaC42H92N8
Molecular Weight709.25 g/mol
Exact Mass708.74
IUPAC Name1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(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.C7H15N/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;1-7(2)8-5-3-4-6-8/h9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIXPVTWYAYOIYQN-UHFFFAOYSA-N
XLogP6.47
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.25
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 69751149
(2S)-1-methyl-2-[2-[1-methyl-4-[(2S,3R)-3-(4-methylpiperazin-1-yl)butan-2-yl]piperazin-2-yl]ethyl]-6-[[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methyl]-4-propan-2-ylpiperazine
CID 138578614
1-Methyl-4-(2-piperidin-1-ylethyl)piperazine;1-methyl-4-piperidin-1-ylpiperidine
CID 142839720
1-Methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
CID 143456779
1-(1,1-dimethylpiperidin-1-ium-4-yl)-4-methylpiperazine;1,1-dimethyl-4-pyrrolidin-1-ylpiperidin-1-ium;ethane;N,1,1-trimethylpiperidin-1-ium-4-amine
CID 156744045
(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine
CID 157179110
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
Bis(1,4-dimethylpiperazine);1-methylpiperidine;1-methylpyrrolidine
CID 157439064
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157461988
Tris(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157621754
1,4-Dimethylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 157877999
1,4-Dimethylpiperazine;methane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158178488

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;1-propan-2-ylpyrrolidine?
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;1-propan-2-ylpyrrolidine (CID 158835822) is 1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
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;1-propan-2-ylpyrrolidine?
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;1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.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;1-propan-2-ylpyrrolidine?
The InChIKey is IXPVTWYAYOIYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C9H20N2.C8H18N2.C8H17N.C7H15N/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;1-7(2)8-5-3-4-6-8/h9-10H,5-8H2,1-4H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
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-propan-2-ylpyrrolidine?
1,4-di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 709.25 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158835822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).