1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C52H111N9O2 — CID 160524834

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N/c1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyQUTFYZZOOPQIGS-UHFFFAOYSA-N
MW894.52 g/mol
LogP7.94
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 160524834) has the molecular formula C52H111N9O2 and a molecular weight of 894.52 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID160524834
Molecular FormulaC52H111N9O2
Molecular Weight894.52 g/mol
Exact Mass893.89
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N/c1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyQUTFYZZOOPQIGS-UHFFFAOYSA-N
XLogP7.94
TPSA64.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.52
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine with MolForge

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Related Compounds

2,2-Dimethyl-1-propan-2-ylpiperidine;methane;4-propan-2-ylmorpholine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157278878
(2S,6R)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
CID 157377650
N,N-dimethylethanamine;ethanamine;N-ethylethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;N-ethylpropan-1-amine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;2-methoxy-N,N-dimethylethanamine;3-methoxy-N,N-dimethylpropan-1-amine;4-(2-methoxyethyl)morpholine;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)-4-methylpiperazine;1-(3-methoxypropyl)piperidine;N-methylethanamine
CID 157500458
1-Tert-butylpiperazine;1-tert-butylpiperidine;methane;1-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 158169296
(2R,6S)-2,6-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)morpholine;(3R,5S)-3,5-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]ethanone;1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;(2S,6R)-1,2,6-trimethyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 158193401
N,N-dimethylethanamine;ethanamine;N-ethylethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;N-ethylpropan-1-amine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;N-methylethanamine
CID 158340651
N-tert-butyl-1-methylpiperidin-4-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 158596499
1-Tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 159135855
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635
N,N-dimethylethanamine;ethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;N-methylethanamine
CID 159984583
N,N-diethylethanamine;N,N-diethyl-2-methoxyethanamine;1,4-diethylpiperazine;ethanamine;2-ethoxy-N,N-diethylethanamine;N-ethylethanamine;1-ethyl-4-(2-methoxyethyl)piperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)propan-1-one;1-ethylpiperidine;1-ethylpyrrolidine;4-(2-methoxyethyl)morpholine;1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 160091361
4-Tert-butyl-2,6-dimethylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpiperidin-2-one;1-tert-butylpyrrolidine;1-tert-butylpyrrolidin-2-one
CID 160241297

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 160524834) is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is QUTFYZZOOPQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N/c1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 894.52 g/mol, XLogP of 7.94, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 160524834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).