1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C54H112N8O3 — CID 162218246

IUPAC1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;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)N1CCCCC1(C)C.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C11H23N.C10H20N2O.C9H19N.C8H16N2O.C8H17NO.C8H17N/c1-10(2,3)12-9-7-6-8-11(12,4)5;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h6-9H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyZTTNYMFEYBSNFR-UHFFFAOYSA-N
MW921.54 g/mol
LogP9.48
Rot. Bonds

About 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine

1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 162218246) has the molecular formula C54H112N8O3 and a molecular weight of 921.54 g/mol. Its IUPAC name is 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID162218246
Molecular FormulaC54H112N8O3
Molecular Weight921.54 g/mol
Exact Mass920.89
IUPAC Name1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;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)N1CCCCC1(C)C.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C11H23N.C10H20N2O.C9H19N.C8H16N2O.C8H17NO.C8H17N/c1-10(2,3)12-9-7-6-8-11(12,4)5;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h6-9H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyZTTNYMFEYBSNFR-UHFFFAOYSA-N
XLogP9.48
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.54
LogP ≤ 59.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine with MolForge

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Launch Full Analysis

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
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]ethanone;N-tert-butylcyclohexanamine;bis(N-tert-butyl-1-methylpiperidin-4-amine);N-(cyclohexylmethyl)-2-methylpropan-2-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine;1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine);N-(2-piperidin-1-ylethyl)propan-2-amine;N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 157773986
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;3,5-dimethyl-1-propan-2-ylpiperazine;(3S,5R)-3,5-dimethyl-1-propan-2-ylpiperazine;N,N-dimethyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine;N-ethyl-N,3-dimethylbutan-1-amine;1-(2-methoxyethyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;3-methyl-N-propan-2-ylbutan-1-amine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-methyl-3-propan-2-ylpyrrolidine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;N,N,3-trimethylbutan-1-amine;1,2,6-trimethyl-4-propan-2-ylpiperazine;(2R,6S)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 158052961
(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
8-tert-butyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-tert-butyl-1-(2-methoxyethyl)piperazin-2-one;1-tert-butyl-4-methylpiperazine;4-tert-butyl-2-methyl-1-propan-2-ylpiperazine;1-tert-butyl-4-(oxetan-3-yl)piperazine;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;1-tert-butyl-N,N,3-trimethylazetidin-3-amine;1,4-ditert-butylpiperazine;N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine;2-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 158369730
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
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
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperidine;2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;bis(N-(2,2-dimethylpropyl)-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide)
CID 161133356
N,N-diethyl-1-(2-methylpropyl)piperidin-4-amine;N-[2-(dimethylamino)ethyl]-2-methylpropanamide;N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide;1,2-dimethyl-4-(2-methylpropyl)piperazine;N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine;N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-4-(2-methylpropyl)piperazine;2-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide;2-methyl-6-piperidin-1-ylhexan-3-one;2-methyl-N-piperidin-3-ylpropanamide;1-[2-(2-methylpropoxy)ethyl]piperidine;1-(2-methylpropyl)piperazine;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;1-(2-methylpropyl)-4-piperidin-1-ylpiperidine;1-(2-methylpropyl)-4-propylpiperazine;1-(2-methylpropyl)-4-pyrrolidin-1-ylpiperidine;1,2,2-trimethyl-4-(2-methylpropyl)piperazine
CID 161546559

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 162218246) is 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;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)N1CCCCC1(C)C.CC(C)(C)N1CCNC(=O)C1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is ZTTNYMFEYBSNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H20N2O.C9H19N.C8H16N2O.C8H17NO.C8H17N/c1-10(2,3)12-9-7-6-8-11(12,4)5;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-5-4-9-7(11)6-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h6-9H2,1-5H3;5-8H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3,(H,9,11);4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 921.54 g/mol, XLogP of 9.48, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-dimethylpiperidine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 162218246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).