N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide

C15H23N3O2 — CID 77039199

IUPACN'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
SMILESCOc1ccc(C)cc1CN1CCC(C(N)=NO)CC1
InChIInChI=1S/C15H23N3O2/c1-11-3-4-14(20-2)13(9-11)10-18-7-5-12(6-8-18)15(16)17-19/h3-4,9,12,19H,5-8,10H2,1-2H3,(H2,16,17)
InChIKeyRNEFYPUDVHSZPC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.96
Rot. Bonds4

About N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide

N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide (PubChem CID 77039199) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
PubChem CID77039199
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
SMILESCOc1ccc(C)cc1CN1CCC(C(N)=NO)CC1
InChIInChI=1S/C15H23N3O2/c1-11-3-4-14(20-2)13(9-11)10-18-7-5-12(6-8-18)15(16)17-19/h3-4,9,12,19H,5-8,10H2,1-2H3,(H2,16,17)
InChIKeyRNEFYPUDVHSZPC-UHFFFAOYSA-N
XLogP1.96
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.96
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

ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920705
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 62154973
3-[(2-methoxy-5-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927453
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpiperazine;hydrochloride
CID 119924453

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide (CID 77039199) is N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide is COc1ccc(C)cc1CN1CCC(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide?
The InChIKey is RNEFYPUDVHSZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-3-4-14(20-2)13(9-11)10-18-7-5-12(6-8-18)15(16)17-19/h3-4,9,12,19H,5-8,10H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide?
N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide is sourced from PubChem (CID 77039199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).