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

C56H127N7O — CID 158438628

IUPAC1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C10H22N2.C8H18N2.C8H17N.C7H15NO.C7H15N.4C4H10/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;4*1-4(2)3/h9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*4H,1-3H3
InChIKeyHCNQGVLETIIXRX-UHFFFAOYSA-N
MW914.68 g/mol
LogP12.81
Rot. Bonds6

About 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine

1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (PubChem CID 158438628) has the molecular formula C56H127N7O and a molecular weight of 914.68 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
PubChem CID158438628
Molecular FormulaC56H127N7O
Molecular Weight914.68 g/mol
Exact Mass914.01
IUPAC Name1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1
InChIInChI=1S/C10H22N2.C8H18N2.C8H17N.C7H15NO.C7H15N.4C4H10/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;4*1-4(2)3/h9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*4H,1-3H3
InChIKeyHCNQGVLETIIXRX-UHFFFAOYSA-N
XLogP12.81
TPSA31.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.68
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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N,N-dimethylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 167697497
4-propan-2-yl-1,4-oxazepane;hydrate
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CID 167278501
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
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1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
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ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
1-propan-2-ylazepane;1-propan-2-ylazetidine;1-propan-2-ylazocane;1-propan-2-yl-1,4-diazepane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158844378

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The IUPAC name of 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine (CID 158438628) is 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The canonical SMILES for 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.
What is the InChIKey of 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
The InChIKey is HCNQGVLETIIXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C8H18N2.C8H17N.C7H15NO.C7H15N.4C4H10/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;4*1-4(2)3/h9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*4H,1-3H3.
What are the key properties of 1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine?
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine has a molecular weight of 914.68 g/mol, XLogP of 12.81, 6 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;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 158438628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).