(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 61205449

IUPAC(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-16-10-12-4-3-9-17(11-12)15(18)13-5-7-14(19-2)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyKNHMWHFAJRWXTI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds4

About (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 61205449) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID61205449
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C15H22N2O2/c1-16-10-12-4-3-9-17(11-12)15(18)13-5-7-14(19-2)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyKNHMWHFAJRWXTI-UHFFFAOYSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyethoxy)phenyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396826
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
[3-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119398196
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(2-hydroxy-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205284
(2-fluoro-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 103804906
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
3-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395321
(3-bromo-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398712
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 61205449) is (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is KNHMWHFAJRWXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-10-12-4-3-9-17(11-12)15(18)13-5-7-14(19-2)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61205449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).