N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide

C13H18FN5 — CID 175292944

IUPACN'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide
SMILESNC(=N/C(N)=N/c1cccc(F)c1)C1CCCCN1
InChIInChI=1S/C13H18FN5/c14-9-4-3-5-10(8-9)18-13(16)19-12(15)11-6-1-2-7-17-11/h3-5,8,11,17H,1-2,6-7H2,(H4,15,16,18,19)
InChIKeySXUVOYJFDIQXGU-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.27
Rot. Bonds2

About N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide

N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide (PubChem CID 175292944) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide
PubChem CID175292944
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC NameN'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide
SMILESNC(=N/C(N)=N/c1cccc(F)c1)C1CCCCN1
InChIInChI=1S/C13H18FN5/c14-9-4-3-5-10(8-9)18-13(16)19-12(15)11-6-1-2-7-17-11/h3-5,8,11,17H,1-2,6-7H2,(H4,15,16,18,19)
InChIKeySXUVOYJFDIQXGU-UHFFFAOYSA-N
XLogP1.27
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426730
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
N-[1-(3-fluorophenyl)cyclopropyl]piperidine-2-carboxamide
CID 110482396
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360

Frequently Asked Questions

What is the IUPAC name of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide?
The IUPAC name of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide (CID 175292944) is N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide.
What is the SMILES notation for N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide?
The canonical SMILES for N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide is NC(=N/C(N)=N/c1cccc(F)c1)C1CCCCN1.
What is the InChIKey of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide?
The InChIKey is SXUVOYJFDIQXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c14-9-4-3-5-10(8-9)18-13(16)19-12(15)11-6-1-2-7-17-11/h3-5,8,11,17H,1-2,6-7H2,(H4,15,16,18,19).
What are the key properties of N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide?
N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide has a molecular weight of 263.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(3-fluorophenyl)carbamimidoyl]piperidine-2-carboximidamide is sourced from PubChem (CID 175292944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).