N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine

C19H29F3N2 — CID 123775925

IUPACN-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(c1cc(C(F)(F)F)cc(C)c1C)C1CCN(C(C)C)CC1
InChIInChI=1S/C19H29F3N2/c1-6-24(17-7-9-23(10-8-17)13(2)3)18-12-16(19(20,21)22)11-14(4)15(18)5/h11-13,17H,6-10H2,1-5H3
InChIKeyDBEXCEIGBDEAOG-UHFFFAOYSA-N
MW342.45 g/mol
LogP5.02
Rot. Bonds4

About N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine

N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine (PubChem CID 123775925) has the molecular formula C19H29F3N2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine
PubChem CID123775925
Molecular FormulaC19H29F3N2
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC NameN-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine
SMILESCCN(c1cc(C(F)(F)F)cc(C)c1C)C1CCN(C(C)C)CC1
InChIInChI=1S/C19H29F3N2/c1-6-24(17-7-9-23(10-8-17)13(2)3)18-12-16(19(20,21)22)11-14(4)15(18)5/h11-13,17H,6-10H2,1-5H3
InChIKeyDBEXCEIGBDEAOG-UHFFFAOYSA-N
XLogP5.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine (CID 123775925) is N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine is CCN(c1cc(C(F)(F)F)cc(C)c1C)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine?
The InChIKey is DBEXCEIGBDEAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N2/c1-6-24(17-7-9-23(10-8-17)13(2)3)18-12-16(19(20,21)22)11-14(4)15(18)5/h11-13,17H,6-10H2,1-5H3.
What are the key properties of N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine?
N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethyl-5-(trifluoromethyl)phenyl]-N-ethyl-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 123775925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).