N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride

C16H23ClF3N3O — CID 87476901

IUPACN'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\OCCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O.ClH/c17-16(18,19)14-7-4-6-13(12-14)15(20)21-23-11-5-10-22-8-2-1-3-9-22;/h4,6-7,12H,1-3,5,8-11H2,(H2,20,21);1H
InChIKeyPHDMTEDONYHKPB-UHFFFAOYSA-N
MW365.83 g/mol
LogP3.64
Rot. Bonds6

About N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride

N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride (PubChem CID 87476901) has the molecular formula C16H23ClF3N3O and a molecular weight of 365.83 g/mol. Its IUPAC name is N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
PubChem CID87476901
Molecular FormulaC16H23ClF3N3O
Molecular Weight365.83 g/mol
Exact Mass365.15
IUPAC NameN'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
SMILESCl.N/C(=N\OCCCN1CCCCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O.ClH/c17-16(18,19)14-7-4-6-13(12-14)15(20)21-23-11-5-10-22-8-2-1-3-9-22;/h4,6-7,12H,1-3,5,8-11H2,(H2,20,21);1H
InChIKeyPHDMTEDONYHKPB-UHFFFAOYSA-N
XLogP3.64
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N'-hydroxy-3-(morpholin-4-ylmethyl)benzene-1-carboximidamide
CID 24694925
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 57368830
N'-hydroxy-3-(piperidin-1-ylmethyl)benzene-1-carboximidamide
CID 24698176
3-(Morpholin-4-ylmethyl)benzene-1-carboximidamide dihydrochloride
CID 47002343
N'-hydroxy-3-[(piperidin-1-yl)methyl]benzene-1-carboximidamide
CID 57368829
CID 54521282
CID 54521282
N-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidoyl chloride;hydrochloride
CID 88308248
4-fluoro-N'-[[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methoxy]benzenecarboximidamide
CID 143331168
N'-butoxy-1-[[3-fluoro-5-[(E)-3-fluoroprop-2-enyl]phenyl]methyl]-N-methylidenepiperidine-4-carboximidamide
CID 144285706
CID 160204267
CID 160204267
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010996
N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 60890806

Frequently Asked Questions

What is the IUPAC name of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride (CID 87476901) is N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride is Cl.N/C(=N\OCCCN1CCCCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The InChIKey is PHDMTEDONYHKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O.ClH/c17-16(18,19)14-7-4-6-13(12-14)15(20)21-23-11-5-10-22-8-2-1-3-9-22;/h4,6-7,12H,1-3,5,8-11H2,(H2,20,21);1H.
What are the key properties of N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride has a molecular weight of 365.83 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-piperidin-1-ylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 87476901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).