[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone

C15H22N2O2 — CID 54986051

IUPAC[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESCN(C)CC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-16(2)11-12-6-8-17(9-7-12)15(19)13-4-3-5-14(18)10-13/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeySFJAFNFVBSSIIX-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds3

About [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone

[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 54986051) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID54986051
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESCN(C)CC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-16(2)11-12-6-8-17(9-7-12)15(19)13-4-3-5-14(18)10-13/h3-5,10,12,18H,6-9,11H2,1-2H3
InChIKeySFJAFNFVBSSIIX-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
[4-[(dimethylamino)methyl]piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 63214056
(2,3-dihydroxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 114344142
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 51082943
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
(3-aminophenyl)-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]methanone;dihydrochloride
CID 119875254

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone (CID 54986051) is [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone is CN(C)CC1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is SFJAFNFVBSSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16(2)11-12-6-8-17(9-7-12)15(19)13-4-3-5-14(18)10-13/h3-5,10,12,18H,6-9,11H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone?
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 54986051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).