(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C15H22N2O2 — CID 63248844

IUPAC(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccc(C)c2O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)18)15(19)17-8-6-12(7-9-17)10-16-2/h3-5,12,16,18H,6-10H2,1-2H3
InChIKeyILERSMYDVOLAFM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.77
Rot. Bonds3

About (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63248844) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63248844
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cccc(C)c2O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)18)15(19)17-8-6-12(7-9-17)10-16-2/h3-5,12,16,18H,6-10H2,1-2H3
InChIKeyILERSMYDVOLAFM-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-[1-(2-hydroxy-3-methylbenzoyl)piperidin-4-yl]acetic acid
CID 79614738
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010
(2-hydroxy-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 113281924
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 81461895
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374
[4-(2-chloroethoxy)piperidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 82701383
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(2,5-dihydroxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107725091
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 63248844) is (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cccc(C)c2O)CC1.
What is the InChIKey of (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ILERSMYDVOLAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-5-13(14(11)18)15(19)17-8-6-12(7-9-17)10-16-2/h3-5,12,16,18H,6-10H2,1-2H3.
What are the key properties of (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(2-hydroxy-3-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 (2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63248844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).