1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone

C57H124N8O5 — CID 158801888

IUPAC1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
SMILESC.C.C.C.C.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCCC1C.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCN(C)CC1.CC1CCNCC1.CCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C9H17NO2.2C8H15NO.C7H14N2O.2C7H15N.C6H13N.5CH4/c1-3-12-9(11)10-6-4-8(2)5-7-10;1-7-4-3-5-9(6-7)8(2)10;1-7-5-3-4-6-9(7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-2-4-7-5-3-6;;;;;/h8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);2*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5*1H4
InChIKeyITOYWLBWNISERN-UHFFFAOYSA-N
MW1001.67 g/mol
LogP12.23
Rot. Bonds1

About 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone

1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 158801888) has the molecular formula C57H124N8O5 and a molecular weight of 1001.67 g/mol. Its IUPAC name is 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
PubChem CID158801888
Molecular FormulaC57H124N8O5
Molecular Weight1001.67 g/mol
Exact Mass1000.97
IUPAC Name1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
SMILESC.C.C.C.C.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCCC1C.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCN(C)CC1.CC1CCNCC1.CCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C9H17NO2.2C8H15NO.C7H14N2O.2C7H15N.C6H13N.5CH4/c1-3-12-9(11)10-6-4-8(2)5-7-10;1-7-4-3-5-9(6-7)8(2)10;1-7-5-3-4-6-9(7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-2-4-7-5-3-6;;;;;/h8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);2*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5*1H4
InChIKeyITOYWLBWNISERN-UHFFFAOYSA-N
XLogP12.23
TPSA135.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.67
LogP ≤ 512.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;methane;2-methylpiperidine;4-methylpiperidine
CID 158214541
Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 158453796
Tert-butyl 4-methylpiperidine-1-carboxylate;1,3-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 158835368
1,3-Dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methyl 4-methylpiperidine-1-carboxylate;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 159624475
Tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;bis(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 159712254
(4aR,8aS)-1-(1-piperidin-4-ylpiperidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one;ethyl 4-[4-[(4aR,8aS)-2-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 160848713
Tert-butyl 4-methylpiperidine-1-carboxylate;tris(1,3-dimethylpiperidine);1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 161001117
Bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(3-methylpiperidin-1-yl)ethanone
CID 161182240
(4aR,8aS)-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-3,4,4a,5,6,7,8,8a-octahydroquinazolin-2-one;ethyl 4-[4-[(4aR,8aS)-2-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylate
CID 161206173
1,3-Dimethylpiperidine;1-ethyl-4-methylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;methylcyclohexane;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone
CID 162136591
Tert-butyl 2-methylpiperidine-1-carboxylate;tert-butyl 3-methylpiperidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;2-methylpiperidine;4-methylpiperidine
CID 162158694

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone (CID 158801888) is 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone is C.C.C.C.C.CC(=O)N1CCCC(C)C1.CC(=O)N1CCCCC1C.CC1CCCN(C)C1.CC1CCN(C(N)=O)CC1.CC1CCN(C)CC1.CC1CCNCC1.CCOC(=O)N1CCC(C)CC1.
What is the InChIKey of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is ITOYWLBWNISERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.2C8H15NO.C7H14N2O.2C7H15N.C6H13N.5CH4/c1-3-12-9(11)10-6-4-8(2)5-7-10;1-7-4-3-5-9(6-7)8(2)10;1-7-5-3-4-6-9(7)8(2)10;1-6-2-4-9(5-3-6)7(8)10;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-2-4-7-5-3-6;;;;;/h8H,3-7H2,1-2H3;2*7H,3-6H2,1-2H3;6H,2-5H2,1H3,(H2,8,10);2*7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;5*1H4.
What are the key properties of 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone?
1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 1001.67 g/mol, XLogP of 12.23, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperidine;1,4-dimethylpiperidine;ethyl 4-methylpiperidine-1-carboxylate;methane;4-methylpiperidine;4-methylpiperidine-1-carboxamide;1-(2-methylpiperidin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 158801888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).