3-(2-formylpiperidin-1-yl)benzenecarboximidamide

C13H17N3O — CID 142030266

IUPAC3-(2-formylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCCCC2C=O)c1
InChIInChI=1S/C13H17N3O/c14-13(15)10-4-3-6-11(8-10)16-7-2-1-5-12(16)9-17/h3-4,6,8-9,12H,1-2,5,7H2,(H3,14,15)
InChIKeyNEPOTOQQINAPSW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.53
Rot. Bonds3

About 3-(2-formylpiperidin-1-yl)benzenecarboximidamide

3-(2-formylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 142030266) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-formylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3-(2-formylpiperidin-1-yl)benzenecarboximidamide
PubChem CID142030266
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-(2-formylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(N2CCCCC2C=O)c1
InChIInChI=1S/C13H17N3O/c14-13(15)10-4-3-6-11(8-10)16-7-2-1-5-12(16)9-17/h3-4,6,8-9,12H,1-2,5,7H2,(H3,14,15)
InChIKeyNEPOTOQQINAPSW-UHFFFAOYSA-N
XLogP1.53
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(3-carbamimidoylphenyl)piperidine-2-carboxylic acid
CID 86675973
(2S)-1-phenylpiperidine-2-carbaldehyde
CID 86336366
(2S)-1-phenylpyrrolidine-2-carbaldehyde
CID 173110062
1-[4-(aminomethyl)phenyl]piperidine-2-carbaldehyde
CID 174467781
1-(4-hydroxyphenyl)piperidine-2-carbaldehyde
CID 175249776
1-(3-carbamimidoylphenyl)-N-(4-phenyl-3-sulfamoylphenyl)piperidine-2-carboxamide
CID 10205895
1-(3-carbamimidoylphenyl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]piperidine-2-carboxamide
CID 10114218
[4-(pyrrolidine-1-carboximidoyl)phenyl] (2S,4R)-1-(3-carbamimidoylphenyl)-4-hydroxypyrrolidine-2-carboxylate
CID 89394506
3-[3-(1-benzylsulfanylpiperidin-4-yl)-5-methyl-2-oxo-1,3-diazinan-1-yl]benzenecarboximidamide
CID 123638556
1-(3,5-dimethylphenyl)piperidine-2-carbaldehyde
CID 174971713
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530

Frequently Asked Questions

What is the IUPAC name of 3-(2-formylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 3-(2-formylpiperidin-1-yl)benzenecarboximidamide (CID 142030266) is 3-(2-formylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 3-(2-formylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 3-(2-formylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(N2CCCCC2C=O)c1.
What is the InChIKey of 3-(2-formylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is NEPOTOQQINAPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13(15)10-4-3-6-11(8-10)16-7-2-1-5-12(16)9-17/h3-4,6,8-9,12H,1-2,5,7H2,(H3,14,15).
What are the key properties of 3-(2-formylpiperidin-1-yl)benzenecarboximidamide?
3-(2-formylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 231.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 142030266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).