N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline

C14H19F3N2 — CID 171391044

IUPACN,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline
SMILESCN(C)c1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2/c1-19(2)13-8-11(10-3-5-18-6-4-10)7-12(9-13)14(15,16)17/h7-10,18H,3-6H2,1-2H3
InChIKeyNZOVIEQUAYBLSG-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.24
Rot. Bonds2

About N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline

N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline (PubChem CID 171391044) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline
PubChem CID171391044
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline
SMILESCN(C)c1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2/c1-19(2)13-8-11(10-3-5-18-6-4-10)7-12(9-13)14(15,16)17/h7-10,18H,3-6H2,1-2H3
InChIKeyNZOVIEQUAYBLSG-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline?
The IUPAC name of N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline (CID 171391044) is N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline is CN(C)c1cc(C2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline?
The InChIKey is NZOVIEQUAYBLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-19(2)13-8-11(10-3-5-18-6-4-10)7-12(9-13)14(15,16)17/h7-10,18H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline?
N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 171391044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).