1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine

C82H183N13O — CID 157345701

IUPAC1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine
SMILESC1CCNCC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CN1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.C[C@@H]1CCNC1.C[C@H]1CCNC1
InChIInChI=1S/C11H24N2.2C10H22N2.C9H18N2O.C8H17N.3C5H11N.4C4H10.C3H7N/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-6-4-3-5-7-9;2*1-5-2-3-6-4-5;1-2-4-6-5-3-1;4*1-4(2)3;1-3-2-4-3/h10H,6-9H2,1-5H3;5-9H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;2*5-6H,2-4H2,1H3;6H,1-5H2;4*4H,1-3H3;3-4H,2H2,1H3/t;;;;;2*5-;;;;;;/m.....10....../s1
InChIKeyBGYBRKULGIUJBK-DBVKDMJSSA-N
MW1367.46 g/mol
LogP15.71
Rot. Bonds7

About 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine

1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine (PubChem CID 157345701) has the molecular formula C82H183N13O and a molecular weight of 1367.46 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine
PubChem CID157345701
Molecular FormulaC82H183N13O
Molecular Weight1367.46 g/mol
Exact Mass1366.47
IUPAC Name1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine
SMILESC1CCNCC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CN1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.C[C@@H]1CCNC1.C[C@H]1CCNC1
InChIInChI=1S/C11H24N2.2C10H22N2.C9H18N2O.C8H17N.3C5H11N.4C4H10.C3H7N/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-6-4-3-5-7-9;2*1-5-2-3-6-4-5;1-2-4-6-5-3-1;4*1-4(2)3;1-3-2-4-3/h10H,6-9H2,1-5H3;5-9H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;2*5-6H,2-4H2,1H3;6H,1-5H2;4*4H,1-3H3;3-4H,2H2,1H3/t;;;;;2*5-;;;;;;/m.....10....../s1
InChIKeyBGYBRKULGIUJBK-DBVKDMJSSA-N
XLogP15.71
TPSA104.26 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001367.46
LogP ≤ 515.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine?
The IUPAC name of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine (CID 157345701) is 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine?
The canonical SMILES for 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine is C1CCNCC1.CC(=O)N1CCN(C(C)C)CC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)N1CCCCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1CN1.CCCN1CCN(C(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.C[C@@H]1CCNC1.C[C@H]1CCNC1.
What is the InChIKey of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine?
The InChIKey is BGYBRKULGIUJBK-DBVKDMJSSA-N. The full InChI is InChI=1S/C11H24N2.2C10H22N2.C9H18N2O.C8H17N.3C5H11N.4C4H10.C3H7N/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)9-6-4-3-5-7-9;2*1-5-2-3-6-4-5;1-2-4-6-5-3-1;4*1-4(2)3;1-3-2-4-3/h10H,6-9H2,1-5H3;5-9H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;2*5-6H,2-4H2,1H3;6H,1-5H2;4*4H,1-3H3;3-4H,2H2,1H3/t;;;;;2*5-;;;;;;/m.....10....../s1.
What are the key properties of 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine?
1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine has a molecular weight of 1367.46 g/mol, XLogP of 15.71, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;2-methylaziridine;tetrakis(2-methylpropane);(3R)-3-methylpyrrolidine;(3S)-3-methylpyrrolidine;piperidine;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-yl-4-propylpiperazine is sourced from PubChem (CID 157345701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).