N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide

C12H25N3O2 — CID 63972125

IUPACN'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
SMILESCOCC1CCN(CCCC/C(N)=N/O)CC1
InChIInChI=1S/C12H25N3O2/c1-17-10-11-5-8-15(9-6-11)7-3-2-4-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyMXABVKABVSBVNA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds7

About N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide

N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide (PubChem CID 63972125) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
PubChem CID63972125
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
SMILESCOCC1CCN(CCCC/C(N)=N/O)CC1
InChIInChI=1S/C12H25N3O2/c1-17-10-11-5-8-15(9-6-11)7-3-2-4-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14)
InChIKeyMXABVKABVSBVNA-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
CID 77024693
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
CID 102958343
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide (CID 63972125) is N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide is COCC1CCN(CCCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is MXABVKABVSBVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-17-10-11-5-8-15(9-6-11)7-3-2-4-12(13)14-16/h11,16H,2-10H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide?
N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide is sourced from PubChem (CID 63972125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).