N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine

C12H16F3N2+ — CID 7148700

IUPACN-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine
SMILESFC(F)(F)c1ccc(NC2CC[NH2+]CC2)cc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h1-4,11,16-17H,5-8H2/p+1
InChIKeyBYQLBAFAFQPRPU-UHFFFAOYSA-O
MW245.27 g/mol
LogP1.84
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine

N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine (PubChem CID 7148700) has the molecular formula C12H16F3N2+ and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine
PubChem CID7148700
Molecular FormulaC12H16F3N2+
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC NameN-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine
SMILESFC(F)(F)c1ccc(NC2CC[NH2+]CC2)cc1
InChIInChI=1S/C12H15F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h1-4,11,16-17H,5-8H2/p+1
InChIKeyBYQLBAFAFQPRPU-UHFFFAOYSA-O
XLogP1.84
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-cyclopropyl-3,5-bis(trifluoromethyl)aniline
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N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine
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N-(4-tert-butylphenyl)cyclooctanamine
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4-N-cyclopropyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
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lithium;1-[4-[4-nitro-3-(trifluoromethyl)anilino]piperidin-1-yl]-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propane-1,3-dione;N-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine;3-oxo-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propanoate;chloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine (CID 7148700) is N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine is FC(F)(F)c1ccc(NC2CC[NH2+]CC2)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine?
The InChIKey is BYQLBAFAFQPRPU-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15F3N2/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h1-4,11,16-17H,5-8H2/p+1.
What are the key properties of N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine?
N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine has a molecular weight of 245.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine is sourced from PubChem (CID 7148700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).