N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide

C11H23N3O — CID 76937108

IUPACN'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
SMILESCCCC1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O/c1-2-3-10-4-7-14(8-5-10)9-6-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyIHYVZWXJQKBVCP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.63
Rot. Bonds5

About N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide

N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide (PubChem CID 76937108) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
PubChem CID76937108
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
SMILESCCCC1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C11H23N3O/c1-2-3-10-4-7-14(8-5-10)9-6-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyIHYVZWXJQKBVCP-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
CID 77024693
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528
3-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 62937426
N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide
CID 76937110
N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide
CID 142907696
N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
CID 63972125
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
1-(2-bromoethyl)-4-propylpiperidine
CID 62206641
3-(azepan-1-yl)-N'-hydroxypropanimidamide;dihydrochloride
CID 131877680
N'-hydroxy-5-[2-(1-methylpiperidin-4-yl)ethylamino]pentanimidamide
CID 104931982

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide (CID 76937108) is N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide is CCCC1CCN(CCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide?
The InChIKey is IHYVZWXJQKBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-3-10-4-7-14(8-5-10)9-6-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide?
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide is sourced from PubChem (CID 76937108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).