N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide

C16H25N3O — CID 107929898

IUPACN'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
SMILESCCCC1CCN(c2ccc(C)cc2/C(N)=N/O)CC1
InChIInChI=1S/C16H25N3O/c1-3-4-13-7-9-19(10-8-13)15-6-5-12(2)11-14(15)16(17)18-20/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H2,17,18)
InChIKeyBCXNSLKIWNBYCG-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.11
Rot. Bonds4

About N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide

N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 107929898) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
PubChem CID107929898
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
SMILESCCCC1CCN(c2ccc(C)cc2/C(N)=N/O)CC1
InChIInChI=1S/C16H25N3O/c1-3-4-13-7-9-19(10-8-13)15-6-5-12(2)11-14(15)16(17)18-20/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H2,17,18)
InChIKeyBCXNSLKIWNBYCG-UHFFFAOYSA-N
XLogP3.11
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.11
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

N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 107929738
5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944687
2-(4-ethylazepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77024659
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
CID 62700990
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
2-(4-tert-butylpiperidin-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939083
N'-hydroxy-5-methyl-2-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 114017220
2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 76945092
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
1-[2-(bromomethyl)-4-methylphenyl]-4-propylazepane
CID 114054707

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide (CID 107929898) is N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide is CCCC1CCN(c2ccc(C)cc2/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is BCXNSLKIWNBYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-4-13-7-9-19(10-8-13)15-6-5-12(2)11-14(15)16(17)18-20/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide?
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 275.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).