4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide

C16H25N3O — CID 86750726

IUPAC4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
SMILESNC(CCCC1CCN(Cc2ccccc2)CC1)=NO
InChIInChI=1S/C16H25N3O/c17-16(18-20)8-4-7-14-9-11-19(12-10-14)13-15-5-2-1-3-6-15/h1-3,5-6,14,20H,4,7-13H2,(H2,17,18)
InChIKeyVSHMEFBPQWHEOJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.82
Rot. Bonds6

About 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide

4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide (PubChem CID 86750726) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
PubChem CID86750726
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
SMILESNC(CCCC1CCN(Cc2ccccc2)CC1)=NO
InChIInChI=1S/C16H25N3O/c17-16(18-20)8-4-7-14-9-11-19(12-10-14)13-15-5-2-1-3-6-15/h1-3,5-6,14,20H,4,7-13H2,(H2,17,18)
InChIKeyVSHMEFBPQWHEOJ-UHFFFAOYSA-N
XLogP2.82
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.82
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

5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 76905955
5-(1-benzylpiperidin-4-yl)pentanethioamide
CID 139624929
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
(NZ)-N-[3-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)propylidene]hydroxylamine
CID 19390888
4-(1-benzylpiperidin-4-yl)-N,N-diethylbutan-1-amine;ethane
CID 142036971
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
N'-[2-(1-benzylpiperidin-4-yl)ethyl]-4-[4-[N'-[2-(1-benzylpiperidin-4-yl)ethyl]carbamimidoyl]anilino]benzenecarboximidamide
CID 170270280
3-(1-benzylpiperidin-4-yl)-2,2-diphenylpropanamide
CID 19970196

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide (CID 86750726) is 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide is NC(CCCC1CCN(Cc2ccccc2)CC1)=NO.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide?
The InChIKey is VSHMEFBPQWHEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-16(18-20)8-4-7-14-9-11-19(12-10-14)13-15-5-2-1-3-6-15/h1-3,5-6,14,20H,4,7-13H2,(H2,17,18).
What are the key properties of 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide?
4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide has a molecular weight of 275.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 86750726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).