N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide

C15H24FN5O — CID 58861072

IUPACN'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide
SMILESCN(C)CCN1CCN(c2ccc(/N=C/NO)cc2F)CC1
InChIInChI=1S/C15H24FN5O/c1-19(2)5-6-20-7-9-21(10-8-20)15-4-3-13(11-14(15)16)17-12-18-22/h3-4,11-12,22H,5-10H2,1-2H3,(H,17,18)
InChIKeyHIQOURNNWPXTBV-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.15
Rot. Bonds6

About N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide

N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide (PubChem CID 58861072) has the molecular formula C15H24FN5O and a molecular weight of 309.39 g/mol. Its IUPAC name is N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide
PubChem CID58861072
Molecular FormulaC15H24FN5O
Molecular Weight309.39 g/mol
Exact Mass309.20
IUPAC NameN'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide
SMILESCN(C)CCN1CCN(c2ccc(/N=C/NO)cc2F)CC1
InChIInChI=1S/C15H24FN5O/c1-19(2)5-6-20-7-9-21(10-8-20)15-4-3-13(11-14(15)16)17-12-18-22/h3-4,11-12,22H,5-10H2,1-2H3,(H,17,18)
InChIKeyHIQOURNNWPXTBV-UHFFFAOYSA-N
XLogP1.15
TPSA54.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluoroaniline
CID 62885742
N'-[3-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-N-hydroxymethanimidamide
CID 58861157
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorobenzenecarbothioamide
CID 62890022
2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 23540092
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline
CID 103590336
N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide
CID 58861151
N'-[3-chloro-4-(4-phenylpiperazin-1-yl)phenyl]-N-hydroxymethanimidamide
CID 58861140
5-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]benzenecarbothioamide
CID 62890191
2-[2-(dimethylamino)ethyl-[4-(4-ethylpiperazin-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 126789713
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160
(1R)-1-[3-chloro-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanol
CID 63371719
4-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]benzoic acid
CID 63083188

Frequently Asked Questions

What is the IUPAC name of N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide (CID 58861072) is N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide is CN(C)CCN1CCN(c2ccc(/N=C/NO)cc2F)CC1.
What is the InChIKey of N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide?
The InChIKey is HIQOURNNWPXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O/c1-19(2)5-6-20-7-9-21(10-8-20)15-4-3-13(11-14(15)16)17-12-18-22/h3-4,11-12,22H,5-10H2,1-2H3,(H,17,18).
What are the key properties of N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide?
N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide has a molecular weight of 309.39 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorophenyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 58861072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).