N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide

C14H21N3O2 — CID 43372970

IUPACN'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCOC1CCN(Cc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-19-13-6-8-17(9-7-13)10-11-2-4-12(5-3-11)14(15)16-18/h2-5,13,18H,6-10H2,1H3,(H2,15,16)
InChIKeyMJQJSDJODOTNIS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds4

About N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide

N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 43372970) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID43372970
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCOC1CCN(Cc2ccc(/C(N)=N/O)cc2)CC1
InChIInChI=1S/C14H21N3O2/c1-19-13-6-8-17(9-7-13)10-11-2-4-12(5-3-11)14(15)16-18/h2-5,13,18H,6-10H2,1H3,(H2,15,16)
InChIKeyMJQJSDJODOTNIS-UHFFFAOYSA-N
XLogP1.39
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
CID 43373259
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970577
N'-hydroxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 76986935
3-[(4-methoxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 43372945
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
3-chloro-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102667756

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide (CID 43372970) is N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide is COC1CCN(Cc2ccc(/C(N)=N/O)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is MJQJSDJODOTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-6-8-17(9-7-13)10-11-2-4-12(5-3-11)14(15)16-18/h2-5,13,18H,6-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 43372970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).