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

C15H22N2O2 — CID 63091098

IUPAC[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(N(C)C)C2)c(O)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-7-13(14(18)9-11)15(19)17-8-4-5-12(10-17)16(2)3/h6-7,9,12,18H,4-5,8,10H2,1-3H3
InChIKeyUNVOWWDXBWCVKQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.87
Rot. Bonds2

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

[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone (PubChem CID 63091098) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
PubChem CID63091098
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(N(C)C)C2)c(O)c1
InChIInChI=1S/C15H22N2O2/c1-11-6-7-13(14(18)9-11)15(19)17-8-4-5-12(10-17)16(2)3/h6-7,9,12,18H,4-5,8,10H2,1-3H3
InChIKeyUNVOWWDXBWCVKQ-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-bromo-2-hydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63616283
[3-(dimethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 103863767
(2,3-dihydroxyphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 114344485
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
(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-ethoxypiperidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 54983413
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-hydroxy-4-methylphenyl)methanone
CID 65320490
(5-amino-2,4-dimethylphenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 102705708
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
(2-bromo-5-iodophenyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103997408

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone?
The IUPAC name of [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone (CID 63091098) is [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC(N(C)C)C2)c(O)c1.
What is the InChIKey of [3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone?
The InChIKey is UNVOWWDXBWCVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-7-13(14(18)9-11)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]-(2-hydroxy-4-methylphenyl)methanone?
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-4-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]-(2-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 63091098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).