N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide

C17H25N3O — CID 111821412

IUPACN'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1c(O)ccc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C17H25N3O/c18-17(20-10-4-1-5-11-20)19-12-15-14-7-3-2-6-13(14)8-9-16(15)21/h8-9,21H,1-7,10-12H2,(H2,18,19)
InChIKeyKHIOIDUXZWSHFD-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.57
Rot. Bonds2

About N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide

N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide (PubChem CID 111821412) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide
PubChem CID111821412
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1c(O)ccc2c1CCCC2)N1CCCCC1
InChIInChI=1S/C17H25N3O/c18-17(20-10-4-1-5-11-20)19-12-15-14-7-3-2-6-13(14)8-9-16(15)21/h8-9,21H,1-7,10-12H2,(H2,18,19)
InChIKeyKHIOIDUXZWSHFD-UHFFFAOYSA-N
XLogP2.57
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide (CID 111821412) is N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide is N/C(=N\Cc1c(O)ccc2c1CCCC2)N1CCCCC1.
What is the InChIKey of N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is KHIOIDUXZWSHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-17(20-10-4-1-5-11-20)19-12-15-14-7-3-2-6-13(14)8-9-16(15)21/h8-9,21H,1-7,10-12H2,(H2,18,19).
What are the key properties of N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide?
N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 287.41 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111821412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).