N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide

C14H29N3O — CID 87453300

IUPACN'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide
SMILESCCC(CC)N1CCC(CCC/C(N)=N/O)CC1
InChIInChI=1S/C14H29N3O/c1-3-13(4-2)17-10-8-12(9-11-17)6-5-7-14(15)16-18/h12-13,18H,3-11H2,1-2H3,(H2,15,16)
InChIKeyFLDJKJOTGUKNMP-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.80
Rot. Bonds7

About N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide

N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide (PubChem CID 87453300) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide
PubChem CID87453300
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide
SMILESCCC(CC)N1CCC(CCC/C(N)=N/O)CC1
InChIInChI=1S/C14H29N3O/c1-3-13(4-2)17-10-8-12(9-11-17)6-5-7-14(15)16-18/h12-13,18H,3-11H2,1-2H3,(H2,15,16)
InChIKeyFLDJKJOTGUKNMP-UHFFFAOYSA-N
XLogP2.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide (CID 87453300) is N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide is CCC(CC)N1CCC(CCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide?
The InChIKey is FLDJKJOTGUKNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-13(4-2)17-10-8-12(9-11-17)6-5-7-14(15)16-18/h12-13,18H,3-11H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide?
N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1-pentan-3-ylpiperidin-4-yl)butanimidamide is sourced from PubChem (CID 87453300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).