1-methyl-4-[(4-methylphenoxy)methyl]piperidine

C14H21NO — CID 123249578

IUPAC1-methyl-4-[(4-methylphenoxy)methyl]piperidine
SMILESCc1ccc(OCC2CCN(C)CC2)cc1
InChIInChI=1S/C14H21NO/c1-12-3-5-14(6-4-12)16-11-13-7-9-15(2)10-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyREVWAHNCFORFDE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds3

About 1-methyl-4-[(4-methylphenoxy)methyl]piperidine

1-methyl-4-[(4-methylphenoxy)methyl]piperidine (PubChem CID 123249578) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylphenoxy)methyl]piperidine
PubChem CID123249578
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-methyl-4-[(4-methylphenoxy)methyl]piperidine
SMILESCc1ccc(OCC2CCN(C)CC2)cc1
InChIInChI=1S/C14H21NO/c1-12-3-5-14(6-4-12)16-11-13-7-9-15(2)10-8-13/h3-6,13H,7-11H2,1-2H3
InChIKeyREVWAHNCFORFDE-UHFFFAOYSA-N
XLogP2.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methoxy-3-methylphenoxy)methyl]-1-methylpiperidine
CID 58748493
2-(4-methylphenoxy)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238902
3-[(1-methylpiperidin-4-yl)methoxy]benzonitrile
CID 68710696
N,1-dimethyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine;ethane
CID 144962995
2-[[4-[(1-methylpiperidin-4-yl)methoxy]anilino]methylidene]propanedinitrile
CID 168544377
methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 144724148
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 61168104
(2R)-1-ethyl-2-[(4-methylphenoxy)methyl]pyrrolidine
CID 169188321
[2-(methylamino)-2-oxoethyl] 4-[[4-(4-methylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 59814811
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
CID 145385406

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylphenoxy)methyl]piperidine?
The IUPAC name of 1-methyl-4-[(4-methylphenoxy)methyl]piperidine (CID 123249578) is 1-methyl-4-[(4-methylphenoxy)methyl]piperidine.
What is the SMILES notation for 1-methyl-4-[(4-methylphenoxy)methyl]piperidine?
The canonical SMILES for 1-methyl-4-[(4-methylphenoxy)methyl]piperidine is Cc1ccc(OCC2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[(4-methylphenoxy)methyl]piperidine?
The InChIKey is REVWAHNCFORFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-3-5-14(6-4-12)16-11-13-7-9-15(2)10-8-13/h3-6,13H,7-11H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylphenoxy)methyl]piperidine?
1-methyl-4-[(4-methylphenoxy)methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 123249578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).