1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide

C13H18ClN3O — CID 77041337

IUPAC1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-11-5-3-4-10(8-11)9-17-7-2-1-6-12(17)13(15)16-18/h3-5,8,12,18H,1-2,6-7,9H2,(H2,15,16)
InChIKeyOPJRAWFVNMBMRF-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.44
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide

1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041337) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041337
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c14-11-5-3-4-10(8-11)9-17-7-2-1-6-12(17)13(15)16-18/h3-5,8,12,18H,1-2,6-7,9H2,(H2,15,16)
InChIKeyOPJRAWFVNMBMRF-UHFFFAOYSA-N
XLogP2.44
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.44
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-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
1-[(3-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 102978042
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[(4-bromophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041916
2-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]acetamide
CID 69347873
1-[(3,4-dimethylphenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77041448
N'-hydroxy-1-(pyridin-3-ylmethyl)piperidine-2-carboximidamide
CID 77041710
1-[(2-chlorophenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036297
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
1-[(5-bromo-3-pyridinyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 104797630
1-[(2-chloro-3-fluorophenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 112652370
1-[(5-chloro-2-methoxyphenyl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035987

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide (CID 77041337) is 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide is NC(=NO)C1CCCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is OPJRAWFVNMBMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-5-3-4-10(8-11)9-17-7-2-1-6-12(17)13(15)16-18/h3-5,8,12,18H,1-2,6-7,9H2,(H2,15,16).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide?
1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 267.76 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77041337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).