2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

C68H130F3N7O6 — CID 161082798

IUPAC2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CCCCC1.CC(C)C(=O)N1CCC(C)(F)CC1.CC(C)C(=O)N1CCCCC1.CC(C)CN1CCCC(C)(F)C1.CC1(F)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/2C10H18FNO.C10H20FN.C10H19NO.C10H21N.C9H17NO2.C9H17NO/c1-9(2,3)8(13)12-6-5-10(4,11)7-12;1-8(2)9(13)12-6-4-10(3,11)5-7-12;1-9(2)7-12-6-4-5-10(3,11)8-12;1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8(2)9(11)10-6-4-3-5-7-10/h5-7H2,1-4H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyUGCZTZFTKNYMKB-UHFFFAOYSA-N
MW1198.82 g/mol
LogP13.56
Rot. Bonds5

About 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 161082798) has the molecular formula C68H130F3N7O6 and a molecular weight of 1198.82 g/mol. Its IUPAC name is 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID161082798
Molecular FormulaC68H130F3N7O6
Molecular Weight1198.82 g/mol
Exact Mass1198.00
IUPAC Name2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CCCCC1.CC(C)C(=O)N1CCC(C)(F)CC1.CC(C)C(=O)N1CCCCC1.CC(C)CN1CCCC(C)(F)C1.CC1(F)CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/2C10H18FNO.C10H20FN.C10H19NO.C10H21N.C9H17NO2.C9H17NO/c1-9(2,3)8(13)12-6-5-10(4,11)7-12;1-8(2)9(13)12-6-4-10(3,11)5-7-12;1-9(2)7-12-6-4-5-10(3,11)8-12;1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8(2)9(11)10-6-4-3-5-7-10/h5-7H2,1-4H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyUGCZTZFTKNYMKB-UHFFFAOYSA-N
XLogP13.56
TPSA117.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.82
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (CID 161082798) is 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CCCCC1.CC(C)C(=O)N1CCC(C)(F)CC1.CC(C)C(=O)N1CCCCC1.CC(C)CN1CCCC(C)(F)C1.CC1(F)CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is UGCZTZFTKNYMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18FNO.C10H20FN.C10H19NO.C10H21N.C9H17NO2.C9H17NO/c1-9(2,3)8(13)12-6-5-10(4,11)7-12;1-8(2)9(13)12-6-4-10(3,11)5-7-12;1-9(2)7-12-6-4-5-10(3,11)8-12;1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8(2)9(11)10-6-4-3-5-7-10/h5-7H2,1-4H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;4-8H2,1-3H3;4-9H2,1-3H3;4-7H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 1198.82 g/mol, XLogP of 13.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;1-(2,2-dimethylpropyl)piperidine;3-fluoro-3-methyl-1-(2-methylpropyl)piperidine;1-(4-fluoro-4-methylpiperidin-1-yl)-2-methylpropan-1-one;1-(3-fluoro-3-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 161082798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).