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

C15H22N2O2 — CID 103863767

IUPAC[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(18)6-7-14(11)15(19)17-8-4-5-12(10-17)16(2)3/h6-7,9,12,18H,4-5,8,10H2,1-3H3
InChIKeyQZJCFZUTYUIWKY-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds2

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

[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 103863767) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
PubChem CID103863767
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C15H22N2O2/c1-11-9-13(18)6-7-14(11)15(19)17-8-4-5-12(10-17)16(2)3/h6-7,9,12,18H,4-5,8,10H2,1-3H3
InChIKeyQZJCFZUTYUIWKY-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103863645
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 63091098
(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 102705708
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
(4-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63616283
methyl 1-(4-hydroxy-2-methylbenzoyl)piperidine-3-carboxylate
CID 103865413
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(5-chloro-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090575
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (CID 103863767) is [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is QZJCFZUTYUIWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-13(18)6-7-14(11)15(19)17-8-4-5-12(10-17)16(2)3/h6-7,9,12,18H,4-5,8,10H2,1-3H3.
What are the key properties of [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 103863767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).