N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid

C14H18F4N2O2 — CID 69288875

IUPACN-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccccc1CNC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17FN2.C2HF3O2/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11;3-2(4,5)1(6)7/h1-4,11,14-15H,5-9H2;(H,6,7)
InChIKeyOLIGONCBHJVOMH-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.30
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid

N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 69288875) has the molecular formula C14H18F4N2O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID69288875
Molecular FormulaC14H18F4N2O2
Molecular Weight322.30 g/mol
Exact Mass322.13
IUPAC NameN-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESFc1ccccc1CNC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17FN2.C2HF3O2/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11;3-2(4,5)1(6)7/h1-4,11,14-15H,5-9H2;(H,6,7)
InChIKeyOLIGONCBHJVOMH-UHFFFAOYSA-N
XLogP2.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-but-2-enedioic acid;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411227
(E)-but-2-enedioic acid;N-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411448
(E)-but-2-enedioic acid;N-(2-methylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411450
(E)-but-2-enedioic acid;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-propylpiperidin-4-amine
CID 44411509
(E)-but-2-enedioic acid;N-(cyclopropylmethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411527
(E)-but-2-enedioic acid;N-pentan-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411167
(E)-but-2-enedioic acid;N-[(3-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411178
(E)-but-2-enedioic acid;N-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411184
(E)-but-2-enedioic acid;N-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411214
(E)-but-2-enedioic acid;N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-N-(2-methylpropyl)piperidin-4-amine
CID 44411216
(E)-but-2-enedioic acid;N-[[2-(trifluoromethyl)phenyl]methyl]-N-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 44411313
(E)-but-2-enedioic acid;N-butyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 44411455

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 69288875) is N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is Fc1ccccc1CNC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OLIGONCBHJVOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2.C2HF3O2/c13-12-4-2-1-3-10(12)9-15-11-5-7-14-8-6-11;3-2(4,5)1(6)7/h1-4,11,14-15H,5-9H2;(H,6,7).
What are the key properties of N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 322.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69288875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).