1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine

C14H19F3N2O — CID 82712792

IUPAC1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESFC(F)(F)CONC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-20-18-13-7-4-8-19(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2
InChIKeyMRMOCQIIGZXZJR-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.73
Rot. Bonds5

About 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine

1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine (PubChem CID 82712792) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
PubChem CID82712792
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine
SMILESFC(F)(F)CONC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-20-18-13-7-4-8-19(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2
InChIKeyMRMOCQIIGZXZJR-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(4,4,4-trifluorobutan-2-yl)piperidin-3-amine
CID 103777389
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine
CID 119918358
1-benzyl-N-ethoxypyrrolidin-3-amine
CID 82709325
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine (CID 82712792) is 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine is FC(F)(F)CONC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
The InChIKey is MRMOCQIIGZXZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)11-20-18-13-7-4-8-19(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2.
What are the key properties of 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine?
1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine has a molecular weight of 288.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,2,2-trifluoroethoxy)piperidin-3-amine is sourced from PubChem (CID 82712792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).