methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine

C58H129N9O — CID 162061988

IUPACmethane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine
SMILESC.C.C.CC(=O)N1CCC(C)CC1.CC1CCNCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C8H15NO.7C6H13N.C5H11N.3CH4/c1-7-3-5-9(6-4-7)8(2)10;1-6-2-4-7-5-3-6;6*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;6*2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyYZYRWABEYJJVSO-UHFFFAOYSA-N
MW968.73 g/mol
LogP11.50
Rot. Bonds

About methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine

methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine (PubChem CID 162061988) has the molecular formula C58H129N9O and a molecular weight of 968.73 g/mol. Its IUPAC name is methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine
PubChem CID162061988
Molecular FormulaC58H129N9O
Molecular Weight968.73 g/mol
Exact Mass968.03
IUPAC Namemethane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine
SMILESC.C.C.CC(=O)N1CCC(C)CC1.CC1CCNCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/C8H15NO.7C6H13N.C5H11N.3CH4/c1-7-3-5-9(6-4-7)8(2)10;1-6-2-4-7-5-3-6;6*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;6*2-6H2,1H3;2-5H2,1H3;3*1H4
InChIKeyYZYRWABEYJJVSO-UHFFFAOYSA-N
XLogP11.50
TPSA55.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.73
LogP ≤ 511.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

1-cyclopentylpiperazine;2,3-dimethylpiperazine;1-methylpiperazine;bis(2-methylpiperazine);2-(4-methylpiperazin-1-yl)ethanamine;1-methyl-4-(2-piperidin-4-ylethyl)piperazine;piperazine;piperazin-2-one;N-(2-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine;3-piperazin-1-ylpropan-1-amine;1-(3-pyrrolidin-1-ylpropyl)piperazine
CID 157628200
4-Tert-butyl-1-methylpiperidine;1-cyclohexyl-4-(2,2-dimethylpropyl)piperidine;1-cyclopropyl-4-(2,2-dimethylpropyl)piperidine;1-(4,4-dimethylpentyl)pyrrolidine;4-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)piperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;4-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 160684832
1,4-Dimethylpiperazine;methane;4-methylpiperazin-2-one;tris(1-methylpiperidine);1-methylpyrrolidine
CID 161160475
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
N-methyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidin-2-one
CID 167662102
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 177321628

Frequently Asked Questions

What is the IUPAC name of methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine?
The IUPAC name of methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine (CID 162061988) is methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine.
What is the SMILES notation for methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine?
The canonical SMILES for methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine is C.C.C.CC(=O)N1CCC(C)CC1.CC1CCNCC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine?
The InChIKey is YZYRWABEYJJVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.7C6H13N.C5H11N.3CH4/c1-7-3-5-9(6-4-7)8(2)10;1-6-2-4-7-5-3-6;6*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6;;;/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;6*2-6H2,1H3;2-5H2,1H3;3*1H4.
What are the key properties of methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine?
methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine has a molecular weight of 968.73 g/mol, XLogP of 11.50, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;hexakis(1-methylpiperidine);4-methylpiperidine;1-(4-methylpiperidin-1-yl)ethanone;1-methylpyrrolidine is sourced from PubChem (CID 162061988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).