(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 107672010

IUPAC(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(18)3-4-14(11)15(19)17-7-5-12(6-8-17)10-16-2/h3-4,9,12,16,18H,5-8,10H2,1-2H3
InChIKeyJPQFEUCMFIETQZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds3

About (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 107672010) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID107672010
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(O)cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(18)3-4-14(11)15(19)17-7-5-12(6-8-17)10-16-2/h3-4,9,12,16,18H,5-8,10H2,1-2H3
InChIKeyJPQFEUCMFIETQZ-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107725091
(2,4-dimethylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540525
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107670477
(4-bromo-2-hydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251111
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
[4-(3,4-dimethylphenyl)-2-fluorophenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544749
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107673269
(2-chloro-4-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55173736
[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 107672010) is (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(O)cc2C)CC1.
What is the InChIKey of (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is JPQFEUCMFIETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-13(18)3-4-14(11)15(19)17-7-5-12(6-8-17)10-16-2/h3-4,9,12,16,18H,5-8,10H2,1-2H3.
What are the key properties of (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107672010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).