(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine

C14H19F3N2O — CID 170208323

IUPAC(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
SMILESC[C@H]1CN(C)CC[C@H]1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10-9-19(2)8-7-13(10)18-11-3-5-12(6-4-11)20-14(15,16)17/h3-6,10,13,18H,7-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyQROPMZBAUFABNC-GXFFZTMASA-N
MW288.31 g/mol
LogP3.34
Rot. Bonds3

About (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine

(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine (PubChem CID 170208323) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
PubChem CID170208323
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
SMILESC[C@H]1CN(C)CC[C@H]1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-10-9-19(2)8-7-13(10)18-11-3-5-12(6-4-11)20-14(15,16)17/h3-6,10,13,18H,7-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyQROPMZBAUFABNC-GXFFZTMASA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine (CID 170208323) is (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine is C[C@H]1CN(C)CC[C@H]1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
The InChIKey is QROPMZBAUFABNC-GXFFZTMASA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10-9-19(2)8-7-13(10)18-11-3-5-12(6-4-11)20-14(15,16)17/h3-6,10,13,18H,7-9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine?
(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 170208323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).