3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide

C15H22ClN3O2 — CID 76984144

IUPAC3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
SMILESCCCOC1CCCN(c2ccc(C(N)=NO)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O2/c1-2-8-21-12-4-3-7-19(10-12)14-6-5-11(9-13(14)16)15(17)18-20/h5-6,9,12,20H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyMXVXBOKFZORUJD-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.83
Rot. Bonds5

About 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide

3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 76984144) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
PubChem CID76984144
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
SMILESCCCOC1CCCN(c2ccc(C(N)=NO)cc2Cl)C1
InChIInChI=1S/C15H22ClN3O2/c1-2-8-21-12-4-3-7-19(10-12)14-6-5-11(9-13(14)16)15(17)18-20/h5-6,9,12,20H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyMXVXBOKFZORUJD-UHFFFAOYSA-N
XLogP2.83
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.83
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

3-fluoro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 76910257
3-chloro-N'-hydroxy-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958284
3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984457
[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
CID 81152025
1-[2-chloro-4-(chloromethyl)phenyl]-3-propoxypiperidine
CID 81152608
1-[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 81148807
3-chloro-N'-hydroxy-4-[3-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 77073276
3-chloro-N'-hydroxy-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 77048364
3-bromo-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 82800266
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799177
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide (CID 76984144) is 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide is CCCOC1CCCN(c2ccc(C(N)=NO)cc2Cl)C1.
What is the InChIKey of 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is MXVXBOKFZORUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-2-8-21-12-4-3-7-19(10-12)14-6-5-11(9-13(14)16)15(17)18-20/h5-6,9,12,20H,2-4,7-8,10H2,1H3,(H2,17,18).
What are the key properties of 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide?
3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 311.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 76984144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).