1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine

C19H16ClF6N3O — CID 2765011

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
SMILESFC(F)(F)c1cccc(CON=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1
InChIInChI=1S/C19H16ClF6N3O/c20-16-9-14(19(24,25)26)10-27-17(16)29-6-4-15(5-7-29)28-30-11-12-2-1-3-13(8-12)18(21,22)23/h1-3,8-10H,4-7,11H2
InChIKeyZKUDPBGOSNHYDU-UHFFFAOYSA-N
MW451.80 g/mol
LogP5.95
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine (PubChem CID 2765011) has the molecular formula C19H16ClF6N3O and a molecular weight of 451.80 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
PubChem CID2765011
Molecular FormulaC19H16ClF6N3O
Molecular Weight451.80 g/mol
Exact Mass451.09
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
SMILESFC(F)(F)c1cccc(CON=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1
InChIInChI=1S/C19H16ClF6N3O/c20-16-9-14(19(24,25)26)10-27-17(16)29-6-4-15(5-7-29)28-30-11-12-2-1-3-13(8-12)18(21,22)23/h1-3,8-10H,4-7,11H2
InChIKeyZKUDPBGOSNHYDU-UHFFFAOYSA-N
XLogP5.95
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.80
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]but-3-en-1-one
CID 86636704
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[4-[[3-(trifluoromethyl)phenyl]methoxyimino]piperidin-1-yl]propan-1-one;dihydrochloride
CID 87660268
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46469484
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl] 2-phenylacetate
CID 55319526
4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzonitrile
CID 8908387
benzyl 2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]acetate
CID 26262954
3-chloro-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 2766875
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 26452877
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 38682030
N-[(4-chlorophenyl)methoxyiminomethyl]-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzamide
CID 135527871

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine (CID 2765011) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine is FC(F)(F)c1cccc(CON=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The InChIKey is ZKUDPBGOSNHYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF6N3O/c20-16-9-14(19(24,25)26)10-27-17(16)29-6-4-15(5-7-29)28-30-11-12-2-1-3-13(8-12)18(21,22)23/h1-3,8-10H,4-7,11H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine has a molecular weight of 451.80 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine is sourced from PubChem (CID 2765011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).