3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide

C16H24N2O2 — CID 110901980

IUPAC3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN2CCCCC2CO)c1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(20)14-7-5-6-13(10-14)11-18-9-4-3-8-15(18)12-19/h5-7,10,15,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyUYYZIOLLTPEKIQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.74
Rot. Bonds4

About 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide

3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 110901980) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID110901980
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN2CCCCC2CO)c1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(20)14-7-5-6-13(10-14)11-18-9-4-3-8-15(18)12-19/h5-7,10,15,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyUYYZIOLLTPEKIQ-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 55214436
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 116634853
N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961
3-[2-[[N-[(1-benzylpiperidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669387
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
(E)-3-[3-[[2-(hydroxymethyl)azepan-1-yl]methyl]phenyl]prop-2-enoic acid
CID 116637206
3-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 55989879
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
6-[2-(hydroxymethyl)azepan-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 116637062
3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122028646

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide (CID 110901980) is 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN2CCCCC2CO)c1.
What is the InChIKey of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is UYYZIOLLTPEKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)16(20)14-7-5-6-13(10-14)11-18-9-4-3-8-15(18)12-19/h5-7,10,15,19H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 110901980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).