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

C14H20F3N3 — CID 83012265

IUPACN-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c15-14(16,17)12-7-3-2-6-11(12)13(10-18)19-20-8-4-1-5-9-20/h2-3,6-7,13,19H,1,4-5,8-10,18H2
InChIKeyCVTZUFBXXKXQAA-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.70
Rot. Bonds4

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

N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 83012265) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID83012265
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC NameN-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNCC(NN1CCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3N3/c15-14(16,17)12-7-3-2-6-11(12)13(10-18)19-20-8-4-1-5-9-20/h2-3,6-7,13,19H,1,4-5,8-10,18H2
InChIKeyCVTZUFBXXKXQAA-UHFFFAOYSA-N
XLogP2.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011001
(2S)-2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 30116375
N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384743
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
2-piperidin-1-yl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 54775953
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
N-(2-methylprop-2-enyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616293
1-[2-(difluoromethoxy)phenyl]-N-morpholin-4-ylethane-1,2-diamine
CID 83013582
[2-cyclopentyl-1-[2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299132
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377278
2-(2-methylpyrrolidin-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 54881939
2-(1,4-thiazepan-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 61419651

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 83012265) is N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is NCC(NN1CCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is CVTZUFBXXKXQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)12-7-3-2-6-11(12)13(10-18)19-20-8-4-1-5-9-20/h2-3,6-7,13,19H,1,4-5,8-10,18H2.
What are the key properties of N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 287.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 83012265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).