4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide

C16H24N2O2 — CID 111434309

IUPAC4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(20)15-5-3-13(4-6-15)11-18-9-7-14(12-19)8-10-18/h3-6,14,19H,7-12H2,1-2H3
InChIKeyBICHBRIIVZVSTC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds4

About 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide

4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 111434309) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
PubChem CID111434309
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(20)15-5-3-13(4-6-15)11-18-9-7-14(12-19)8-10-18/h3-6,14,19H,7-12H2,1-2H3
InChIKeyBICHBRIIVZVSTC-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 43246141
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]propanoic acid
CID 105345641
2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 105351597
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
CID 82990194

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide (CID 111434309) is 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN2CCC(CO)CC2)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is BICHBRIIVZVSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)16(20)15-5-3-13(4-6-15)11-18-9-7-14(12-19)8-10-18/h3-6,14,19H,7-12H2,1-2H3.
What are the key properties of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide?
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 111434309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).