N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide

C20H24FN3O — CID 76870977

IUPACN'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESNC(=NOCc1ccc(F)cc1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H24FN3O/c21-19-9-7-16(8-10-19)15-25-23-20(22)18-6-4-5-17(13-18)14-24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14-15H2,(H2,22,23)
InChIKeyVXDNRZJRUYYRGS-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.65
Rot. Bonds6

About N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide

N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide (PubChem CID 76870977) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
PubChem CID76870977
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESNC(=NOCc1ccc(F)cc1)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H24FN3O/c21-19-9-7-16(8-10-19)15-25-23-20(22)18-6-4-5-17(13-18)14-24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14-15H2,(H2,22,23)
InChIKeyVXDNRZJRUYYRGS-UHFFFAOYSA-N
XLogP3.65
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-fluorophenoxy)ethoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 76870968
2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxyacetamide
CID 52767527
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
CID 110005979
N'-[(3-chloro-4-methoxyphenyl)methoxy]-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 126799666
3-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24694260
2-[[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N,N-di(propan-2-yl)propanamide
CID 72691990
2-[(Z)-[amino-[3-(piperidin-1-ylmethyl)phenyl]methylidene]amino]oxy-N-(3-chloro-4-methoxyphenyl)acetamide
CID 52909258
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
[3-(azepan-1-ylmethyl)phenyl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 135115736

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide (CID 76870977) is N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide is NC(=NOCc1ccc(F)cc1)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
The InChIKey is VXDNRZJRUYYRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-19-9-7-16(8-10-19)15-25-23-20(22)18-6-4-5-17(13-18)14-24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14-15H2,(H2,22,23).
What are the key properties of N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide has a molecular weight of 341.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methoxy]-3-(piperidin-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 76870977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).