1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine

C17H18F3N3O2 — CID 134813656

IUPAC1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2cc(Oc3ccc(OC(F)(F)F)cc3)ccn2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)25-14-3-1-13(2-4-14)24-15-5-8-22-16(11-15)23-9-6-12(21)7-10-23/h1-5,8,11-12H,6-7,9-10,21H2
InChIKeyOFLYWSXMEILAIE-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.70
Rot. Bonds4

About 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine

1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine (PubChem CID 134813656) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine
PubChem CID134813656
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine
SMILESNC1CCN(c2cc(Oc3ccc(OC(F)(F)F)cc3)ccn2)CC1
InChIInChI=1S/C17H18F3N3O2/c18-17(19,20)25-14-3-1-13(2-4-14)24-15-5-8-22-16(11-15)23-9-6-12(21)7-10-23/h1-5,8,11-12H,6-7,9-10,21H2
InChIKeyOFLYWSXMEILAIE-UHFFFAOYSA-N
XLogP3.70
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
1-[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrrolidin-3-amine
CID 175146023
tert-butyl N-[1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-yl]carbamate;3-isothiocyanatopyridine;1-pyridin-3-yl-3-[1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-yl]thiourea;1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine;hydrochloride
CID 159589873
1-(4-methoxy-2-pyridinyl)pyrrolidin-3-amine
CID 83618665
1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
CID 117224507
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
N-methylmethanimine;1-(4-methyl-2-pyridinyl)piperidin-4-amine
CID 143465241
[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid
CID 142794515
[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 90400768
2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 80674656
2-(4-methylpiperidin-1-yl)-4-[[5-methyl-3-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrazol-1-yl]methyl]pyridine
CID 174650503
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 71786437

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine (CID 134813656) is 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine is NC1CCN(c2cc(Oc3ccc(OC(F)(F)F)cc3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine?
The InChIKey is OFLYWSXMEILAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c18-17(19,20)25-14-3-1-13(2-4-14)24-15-5-8-22-16(11-15)23-9-6-12(21)7-10-23/h1-5,8,11-12H,6-7,9-10,21H2.
What are the key properties of 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine?
1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine has a molecular weight of 353.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethoxy)phenoxy]-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 134813656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).