N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide

C14H21N3O2 — CID 102958373

IUPACN'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCOC1CCCN(Cc2ccc(/C(N)=N/O)cc2)C1
InChIInChI=1S/C14H21N3O2/c1-19-13-3-2-8-17(10-13)9-11-4-6-12(7-5-11)14(15)16-18/h4-7,13,18H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyRJXKYTKZLBQGAT-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.39
Rot. Bonds4

About N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide

N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 102958373) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID102958373
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
SMILESCOC1CCCN(Cc2ccc(/C(N)=N/O)cc2)C1
InChIInChI=1S/C14H21N3O2/c1-19-13-3-2-8-17(10-13)9-11-4-6-12(7-5-11)14(15)16-18/h4-7,13,18H,2-3,8-10H2,1H3,(H2,15,16)
InChIKeyRJXKYTKZLBQGAT-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'}

Analyze N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 43372970
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
2-fluoro-N'-hydroxy-3-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117521
N'-hydroxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 76986935
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958284
3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 79918391
N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]cyclopropanamine
CID 102968242
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide (CID 102958373) is N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide is COC1CCCN(Cc2ccc(/C(N)=N/O)cc2)C1.
What is the InChIKey of N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is RJXKYTKZLBQGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-3-2-8-17(10-13)9-11-4-6-12(7-5-11)14(15)16-18/h4-7,13,18H,2-3,8-10H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide?
N'-hydroxy-4-[(3-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-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 102958373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).