1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide

C15H23N3O — CID 77041448

IUPAC1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESCc1ccc(CN2CCCCC2C(N)=NO)cc1C
InChIInChI=1S/C15H23N3O/c1-11-6-7-13(9-12(11)2)10-18-8-4-3-5-14(18)15(16)17-19/h6-7,9,14,19H,3-5,8,10H2,1-2H3,(H2,16,17)
InChIKeyUYNQJHHSCZJWMZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide

1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041448) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041448
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESCc1ccc(CN2CCCCC2C(N)=NO)cc1C
InChIInChI=1S/C15H23N3O/c1-11-6-7-13(9-12(11)2)10-18-8-4-3-5-14(18)15(16)17-19/h6-7,9,14,19H,3-5,8,10H2,1-2H3,(H2,16,17)
InChIKeyUYNQJHHSCZJWMZ-UHFFFAOYSA-N
XLogP2.40
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
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-[(4-bromophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041916
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041337
1-[(3-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 102978042
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
N'-hydroxy-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboximidamide
CID 112650471
2-(2-bromoethyl)-1-[(3,4-dimethylphenyl)methyl]piperidine
CID 80670822
1-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]ethanol
CID 83982378
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534
1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77036051
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide (CID 77041448) is 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide is Cc1ccc(CN2CCCCC2C(N)=NO)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is UYNQJHHSCZJWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-6-7-13(9-12(11)2)10-18-8-4-3-5-14(18)15(16)17-19/h6-7,9,14,19H,3-5,8,10H2,1-2H3,(H2,16,17).
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77041448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).