1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine

C97H200F2N12O12 — CID 161359760

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
SMILESCC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(F)(F)CN1CCOCC1.CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCOCC1.CC(C)(C)OCCN1CCOCC1.CN(CCN1CCOCC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O.C11H23NO.C10H19F2NO.C10H21NO2.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C8H17NO/c1-11(2,3)12(4)5-6-13-7-9-14-10-8-13;1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-9(2,3)10(11,12)8-13-4-6-14-7-5-13;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)9-4-6-10-7-5-9/h5-10H2,1-4H3;4-10H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyVPADDNBMLSPBCK-UHFFFAOYSA-N
MW1764.73 g/mol
LogP13.77
Rot. Bonds15

About 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine (PubChem CID 161359760) has the molecular formula C97H200F2N12O12 and a molecular weight of 1764.73 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
PubChem CID161359760
Molecular FormulaC97H200F2N12O12
Molecular Weight1764.73 g/mol
Exact Mass1763.54
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
SMILESCC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(F)(F)CN1CCOCC1.CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCOCC1.CC(C)(C)OCCN1CCOCC1.CN(CCN1CCOCC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2O.C11H23NO.C10H19F2NO.C10H21NO2.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C8H17NO/c1-11(2,3)12(4)5-6-13-7-9-14-10-8-13;1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-9(2,3)10(11,12)8-13-4-6-14-7-5-13;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)9-4-6-10-7-5-9/h5-10H2,1-4H3;4-10H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyVPADDNBMLSPBCK-UHFFFAOYSA-N
XLogP13.77
TPSA165.32 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001764.73
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-[4-(oxetan-3-yl)piperazin-1-yl]propan-1-one;1-(2,4-dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 157875535
1-Tert-butyl-4-methylpiperazine;1-(4,4-difluoropiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-1-one;2,2-dimethyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propan-1-one;3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one;1-(2,6-dimethylmorpholin-4-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;3,3-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)butan-2-one
CID 160518125
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;2-methylpropane;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;4-propylmorpholine
CID 160960936
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;2,2-difluoro-3,3-dimethyl-1-morpholin-4-ylbutan-1-one;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 160999243
2,2-dimethyl-4-propan-2-ylmorpholine;3,3-dimethyl-4-propan-2-ylmorpholine;(2R)-1,2-dimethyl-4-propan-2-ylpiperazine;(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;2,2-dimethyl-1-propan-2-ylpiperidine;3,3-dimethyl-1-propan-2-ylpiperidine;(2R)-2-methyl-4-propan-2-ylmorpholine;(2S)-2-methyl-4-propan-2-ylmorpholine;(3S)-3-methyl-1-propan-2-ylpiperidine;(3R)-3-methyl-1-propan-2-ylpiperidine;1,2,2-trimethyl-4-propan-2-ylpiperazine;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 159558479
1,4-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;bis(4,4-dimethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pentan-1-one);N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide;2-methyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-2-amine;2-methyl-N-[3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propyl]propan-2-amine
CID 168424794

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine (CID 161359760) is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine is CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)C(F)(F)CN1CCOCC1.CC(C)(C)CC(=O)N1CCOCC1.CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CN1CCOCC1.CC(C)(C)N1CCOCC1.CC(C)(C)OCCN1CCOCC1.CN(CCN1CCOCC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
The InChIKey is VPADDNBMLSPBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O.C11H23NO.C10H19F2NO.C10H21NO2.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C8H17NO/c1-11(2,3)12(4)5-6-13-7-9-14-10-8-13;1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-9(2,3)10(11,12)8-13-4-6-14-7-5-13;1-10(2,3)13-9-6-11-4-7-12-8-5-11;1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-8(2,3)9-4-6-10-7-5-9/h5-10H2,1-4H3;4-10H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine?
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine has a molecular weight of 1764.73 g/mol, XLogP of 13.77, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;4-(2,2-difluoro-3,3-dimethylbutyl)morpholine;4-(3,3-dimethylbutyl)morpholine;3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(4,4-dimethylpentyl)morpholine;4-(2,2-dimethylpropyl)morpholine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine is sourced from PubChem (CID 161359760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).