4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide

C16H22F3N5O — CID 160908459

IUPAC4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(C(N)=N/C(N)=N/c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N5O/c1-2-25-13-6-8-24(9-7-13)15(21)23-14(20)22-12-5-3-4-11(10-12)16(17,18)19/h3-5,10,13H,2,6-9H2,1H3,(H4,20,21,22,23)
InChIKeySQLMTXINFGQWGW-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.47
Rot. Bonds3

About 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide

4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide (PubChem CID 160908459) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide
PubChem CID160908459
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC Name4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(C(N)=N/C(N)=N/c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H22F3N5O/c1-2-25-13-6-8-24(9-7-13)15(21)23-14(20)22-12-5-3-4-11(10-12)16(17,18)19/h3-5,10,13H,2,6-9H2,1H3,(H4,20,21,22,23)
InChIKeySQLMTXINFGQWGW-UHFFFAOYSA-N
XLogP2.47
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
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'-cyclohexyl-N-[3-(trifluoromethyl)phenyl]morpholine-4-carboximidamide
CID 10338281
4-Morpholinecarboximidamide, N-(4-methylphenyl)-
CID 10584965
CID 21492919
CID 21492919
CID 53974870
CID 53974870
N'-methyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
CID 62358594
N'-ethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboximidamide
CID 62361671
6-chloro-2-ethoxy-3-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazin-4-amine
CID 67016035
2-ethoxy-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-4,6-diamine
CID 67016880
CID 71511883
CID 71511883
CID 71512316
CID 71512316
CID 78092814
CID 78092814
CID 78092981
CID 78092981

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide (CID 160908459) is 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide is CCOC1CCN(C(N)=N/C(N)=N/c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
The InChIKey is SQLMTXINFGQWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c1-2-25-13-6-8-24(9-7-13)15(21)23-14(20)22-12-5-3-4-11(10-12)16(17,18)19/h3-5,10,13H,2,6-9H2,1H3,(H4,20,21,22,23).
What are the key properties of 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide?
4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide has a molecular weight of 357.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]piperidine-1-carboximidamide is sourced from PubChem (CID 160908459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).