methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one

C26H56N4O4 — CID 161387672

IUPACmethane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
SMILESC.CN1CCC(=O)CC1.CN1CCC(O)CC1.COC1CCN(C)CC1.COC1CCNCC1
InChIInChI=1S/C7H15NO.2C6H13NO.C6H11NO.CH4/c1-8-5-3-7(9-2)4-6-8;1-8-6-2-4-7-5-3-6;2*1-7-4-2-6(8)3-5-7;/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;6,8H,2-5H2,1H3;2-5H2,1H3;1H4
InChIKeyVSOJWTXYHKVKGC-UHFFFAOYSA-N
MW488.76 g/mol
LogP2.10
Rot. Bonds2

About methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one

methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one (PubChem CID 161387672) has the molecular formula C26H56N4O4 and a molecular weight of 488.76 g/mol. Its IUPAC name is methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one.

Molecular Properties

Compound Namemethane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
PubChem CID161387672
Molecular FormulaC26H56N4O4
Molecular Weight488.76 g/mol
Exact Mass488.43
IUPAC Namemethane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
SMILESC.CN1CCC(=O)CC1.CN1CCC(O)CC1.COC1CCN(C)CC1.COC1CCNCC1
InChIInChI=1S/C7H15NO.2C6H13NO.C6H11NO.CH4/c1-8-5-3-7(9-2)4-6-8;1-8-6-2-4-7-5-3-6;2*1-7-4-2-6(8)3-5-7;/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;6,8H,2-5H2,1H3;2-5H2,1H3;1H4
InChIKeyVSOJWTXYHKVKGC-UHFFFAOYSA-N
XLogP2.10
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.76
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

Bromomethane;fluoromethane;methane;1-methylpiperidin-4-ol;1-methylpiperidin-4-one;bis(piperidin-4-ol)
CID 157170918
1-(4-Aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;methane;piperidin-4-ol
CID 157744617
1-(4-Aminopiperidin-1-yl)butan-1-one;1-butanoylpiperidin-4-one;1-(4-hydroxypiperidin-1-yl)butan-1-one;piperidin-4-ol
CID 159528790
4-Methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
CID 159782085

Frequently Asked Questions

What is the IUPAC name of methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The IUPAC name of methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one (CID 161387672) is methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one.
What is the SMILES notation for methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The canonical SMILES for methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one is C.CN1CCC(=O)CC1.CN1CCC(O)CC1.COC1CCN(C)CC1.COC1CCNCC1.
What is the InChIKey of methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The InChIKey is VSOJWTXYHKVKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2C6H13NO.C6H11NO.CH4/c1-8-5-3-7(9-2)4-6-8;1-8-6-2-4-7-5-3-6;2*1-7-4-2-6(8)3-5-7;/h7H,3-6H2,1-2H3;6-7H,2-5H2,1H3;6,8H,2-5H2,1H3;2-5H2,1H3;1H4.
What are the key properties of methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one has a molecular weight of 488.76 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one is sourced from PubChem (CID 161387672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).