N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C14H18F3N3O — CID 79156712

IUPACN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESNCc1ccc(NC(=O)N2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-8-11(5-4-10(12)9-18)19-13(21)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9,18H2,(H,19,21)
InChIKeyZKYUINISVPKBDL-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.18
Rot. Bonds2

About N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 79156712) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID79156712
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESNCc1ccc(NC(=O)N2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-8-11(5-4-10(12)9-18)19-13(21)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9,18H2,(H,19,21)
InChIKeyZKYUINISVPKBDL-UHFFFAOYSA-N
XLogP3.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161006
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 65484926
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2-cyclopentylacetamide
CID 65482981
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
4-(cyclopropanecarbonyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
CID 74246966
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
CID 79159528
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-methylpentanamide
CID 114873414
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-3-propoxypropanamide
CID 65483564
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 79156712) is N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is NCc1ccc(NC(=O)N2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is ZKYUINISVPKBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)12-8-11(5-4-10(12)9-18)19-13(21)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9,18H2,(H,19,21).
What are the key properties of N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 79156712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).