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

C25H52N4O4 — CID 159782085

IUPAC4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
SMILESCN1CCC(=O)CC1.CN1CCC(O)CC1.COC1CCN(C)CC1.COC1CCNCC1
InChIInChI=1S/C7H15NO.2C6H13NO.C6H11NO/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
InChIKeyNHMHHAHJNLNNEN-UHFFFAOYSA-N
MW472.72 g/mol
LogP1.47
Rot. Bonds2

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

4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one (PubChem CID 159782085) has the molecular formula C25H52N4O4 and a molecular weight of 472.72 g/mol. Its IUPAC name is 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one.

Molecular Properties

Compound Name4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
PubChem CID159782085
Molecular FormulaC25H52N4O4
Molecular Weight472.72 g/mol
Exact Mass472.40
IUPAC Name4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
SMILESCN1CCC(=O)CC1.CN1CCC(O)CC1.COC1CCN(C)CC1.COC1CCNCC1
InChIInChI=1S/C7H15NO.2C6H13NO.C6H11NO/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
InChIKeyNHMHHAHJNLNNEN-UHFFFAOYSA-N
XLogP1.47
TPSA77.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.72
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
Methane;4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one
CID 161387672

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The IUPAC name of 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one (CID 159782085) is 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one.
What is the SMILES notation for 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The canonical SMILES for 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one is CN1CCC(=O)CC1.CN1CCC(O)CC1.COC1CCN(C)CC1.COC1CCNCC1.
What is the InChIKey of 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
The InChIKey is NHMHHAHJNLNNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2C6H13NO.C6H11NO/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.
What are the key properties of 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one?
4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one has a molecular weight of 472.72 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpiperidine;4-methoxypiperidine;1-methylpiperidin-4-ol;1-methylpiperidin-4-one is sourced from PubChem (CID 159782085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).