3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

C17H27N3O — CID 76986732

IUPAC3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1(CC)CCN(Cc2cccc(C(N)=NO)c2)CC1
InChIInChI=1S/C17H27N3O/c1-3-17(4-2)8-10-20(11-9-17)13-14-6-5-7-15(12-14)16(18)19-21/h5-7,12,21H,3-4,8-11,13H2,1-2H3,(H2,18,19)
InChIKeyNCKOTXMOOSETPE-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.18
Rot. Bonds5

About 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 76986732) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID76986732
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1(CC)CCN(Cc2cccc(C(N)=NO)c2)CC1
InChIInChI=1S/C17H27N3O/c1-3-17(4-2)8-10-20(11-9-17)13-14-6-5-7-15(12-14)16(18)19-21/h5-7,12,21H,3-4,8-11,13H2,1-2H3,(H2,18,19)
InChIKeyNCKOTXMOOSETPE-UHFFFAOYSA-N
XLogP3.18
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4,4-diethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 63158889
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76910073
3-[(4,4-diethylpiperidin-1-yl)methyl]benzonitrile
CID 63160566
N'-hydroxy-3-(pyrazol-1-ylmethyl)benzenecarboximidamide
CID 24695013
1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 63163114
3-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 81464000
3-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 81096786
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
N'-hydroxy-3-[(3-methylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 77037603
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 76986732) is 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is CCC1(CC)CCN(Cc2cccc(C(N)=NO)c2)CC1.
What is the InChIKey of 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is NCKOTXMOOSETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-17(4-2)8-10-20(11-9-17)13-14-6-5-7-15(12-14)16(18)19-21/h5-7,12,21H,3-4,8-11,13H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 289.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-diethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76986732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).