N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide

C17H25N3O — CID 77041361

IUPACN'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CC2CCCc3ccccc32)C1
InChIInChI=1S/C17H25N3O/c18-17(19-21)15-8-4-10-20(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15,21H,3-4,6-8,10-12H2,(H2,18,19)
InChIKeyZGPKIUALKSCLNO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.56
Rot. Bonds3

About N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide

N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide (PubChem CID 77041361) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
PubChem CID77041361
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(CC2CCCc3ccccc32)C1
InChIInChI=1S/C17H25N3O/c18-17(19-21)15-8-4-10-20(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15,21H,3-4,6-8,10-12H2,(H2,18,19)
InChIKeyZGPKIUALKSCLNO-UHFFFAOYSA-N
XLogP2.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.56
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

1-(2,3-dihydro-1H-inden-1-ylmethyl)pyrrolidine-3-carboxamide
CID 126798297
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64833584
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
1-[(2-chlorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041309
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 75455738
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754
(3R)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-3-amine
CID 102985398
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-2-yl]methanamine
CID 63771773
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide (CID 77041361) is N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(CC2CCCc3ccccc32)C1.
What is the InChIKey of N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide?
The InChIKey is ZGPKIUALKSCLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-17(19-21)15-8-4-10-20(12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-2,5,9,14-15,21H,3-4,6-8,10-12H2,(H2,18,19).
What are the key properties of N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide has a molecular weight of 287.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide is sourced from PubChem (CID 77041361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).