N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide

C14H22FN5 — CID 176526735

IUPACN-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide
SMILES[H]/N=C(/N/C(N)=N/C1=CC=C(F)C(C)C1)N1CCCCC1
InChIInChI=1S/C14H22FN5/c1-10-9-11(5-6-12(10)15)18-13(16)19-14(17)20-7-3-2-4-8-20/h5-6,10H,2-4,7-9H2,1H3,(H4,16,17,18,19)
InChIKeyMMYZZWFECDEUCS-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.09
Rot. Bonds1

About N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide

N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 176526735) has the molecular formula C14H22FN5 and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide
PubChem CID176526735
Molecular FormulaC14H22FN5
Molecular Weight279.36 g/mol
Exact Mass279.19
IUPAC NameN-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide
SMILES[H]/N=C(/N/C(N)=N/C1=CC=C(F)C(C)C1)N1CCCCC1
InChIInChI=1S/C14H22FN5/c1-10-9-11(5-6-12(10)15)18-13(16)19-14(17)20-7-3-2-4-8-20/h5-6,10H,2-4,7-9H2,1H3,(H4,16,17,18,19)
InChIKeyMMYZZWFECDEUCS-UHFFFAOYSA-N
XLogP2.09
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.09
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'}

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Related Compounds

N'-[N'-(4-fluorocyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide
CID 173924344
N-[amino-[(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)amino]methylidene]-4-methylpiperazine-1-carboximidamide
CID 176530266
6-(1-Methylpiperidin-4-yl)-1,4-dihydropyrimidin-2-amine
CID 118303286

Frequently Asked Questions

What is the IUPAC name of N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide (CID 176526735) is N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide is [H]/N=C(/N/C(N)=N/C1=CC=C(F)C(C)C1)N1CCCCC1.
What is the InChIKey of N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is MMYZZWFECDEUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5/c1-10-9-11(5-6-12(10)15)18-13(16)19-14(17)20-7-3-2-4-8-20/h5-6,10H,2-4,7-9H2,1H3,(H4,16,17,18,19).
What are the key properties of N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide?
N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 279.36 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 176526735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).