N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine

C14H20F3N3O — CID 83011001

IUPACN-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)21-13-7-3-2-6-11(13)12(10-18)19-20-8-4-1-5-9-20/h2-3,6-7,12,19H,1,4-5,8-10,18H2
InChIKeyUMLBYUVUGNBZQS-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.58
Rot. Bonds5

About N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine

N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine (PubChem CID 83011001) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
PubChem CID83011001
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)21-13-7-3-2-6-11(13)12(10-18)19-20-8-4-1-5-9-20/h2-3,6-7,12,19H,1,4-5,8-10,18H2
InChIKeyUMLBYUVUGNBZQS-UHFFFAOYSA-N
XLogP2.58
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-morpholin-4-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011127
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine
CID 83011948
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
CID 83006472
1-[4-(difluoromethyl)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011833
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethoxy)phenyl]ethanamine
CID 60973440
1-[4-(difluoromethoxy)phenyl]-N-piperidin-1-ylethane-1,2-diamine
CID 83011708
[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
[2-propan-2-yloxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301408
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine (CID 83011001) is N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine is NCC(NN1CCCCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
The InChIKey is UMLBYUVUGNBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)21-13-7-3-2-6-11(13)12(10-18)19-20-8-4-1-5-9-20/h2-3,6-7,12,19H,1,4-5,8-10,18H2.
What are the key properties of N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine?
N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine has a molecular weight of 303.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 83011001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).