N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide

C15H23N3O2 — CID 65444861

IUPACN'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
SMILESCOc1ccc(CCN2CCCC(/C(N)=N/O)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-20-14-6-4-12(5-7-14)8-10-18-9-2-3-13(11-18)15(16)17-19/h4-7,13,19H,2-3,8-11H2,1H3,(H2,16,17)
InChIKeyTZONKFCKAATNAY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.70
Rot. Bonds5

About N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide

N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide (PubChem CID 65444861) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
PubChem CID65444861
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
SMILESCOc1ccc(CCN2CCCC(/C(N)=N/O)C2)cc1
InChIInChI=1S/C15H23N3O2/c1-20-14-6-4-12(5-7-14)8-10-18-9-2-3-13(11-18)15(16)17-19/h4-7,13,19H,2-3,8-11H2,1H3,(H2,16,17)
InChIKeyTZONKFCKAATNAY-UHFFFAOYSA-N
XLogP1.70
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.70
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

(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347773
N'-hydroxy-1-[2-(4-methoxyphenyl)acetyl]piperidine-3-carboximidamide
CID 77041744
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
N'-hydroxy-1-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboximidamide
CID 77041359
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832
1-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82255469

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide (CID 65444861) is N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide is COc1ccc(CCN2CCCC(/C(N)=N/O)C2)cc1.
What is the InChIKey of N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide?
The InChIKey is TZONKFCKAATNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-6-4-12(5-7-14)8-10-18-9-2-3-13(11-18)15(16)17-19/h4-7,13,19H,2-3,8-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide?
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide is sourced from PubChem (CID 65444861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).