[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone

C15H21NO2 — CID 90504931

IUPAC[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCOCC1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H21NO2/c1-12-5-7-14(8-6-12)15(17)16-9-3-4-13(10-16)11-18-2/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyZPVWCCPTDYSCDV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.49
Rot. Bonds3

About [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone

[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 90504931) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID90504931
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
SMILESCOCC1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H21NO2/c1-12-5-7-14(8-6-12)15(17)16-9-3-4-13(10-16)11-18-2/h5-8,13H,3-4,9-11H2,1-2H3
InChIKeyZPVWCCPTDYSCDV-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydrazinylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106588870
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992
(4-bromo-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113259178
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 28957540

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone (CID 90504931) is [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone is COCC1CCCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is ZPVWCCPTDYSCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-5-7-14(8-6-12)15(17)16-9-3-4-13(10-16)11-18-2/h5-8,13H,3-4,9-11H2,1-2H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone?
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 90504931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).