2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine

C19H22ClF3N2O — CID 175576430

IUPAC2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine
SMILESCN1C=CC(C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C=C1Cl
InChIInChI=1S/C19H22ClF3N2O/c1-24-9-6-16(12-18(24)20)15-7-10-25(11-8-15)13-14-2-4-17(5-3-14)26-19(21,22)23/h2-6,9,12,15-16H,7-8,10-11,13H2,1H3
InChIKeyMRUAGHBNNWIDTG-UHFFFAOYSA-N
MW386.85 g/mol
LogP4.95
Rot. Bonds4

About 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine

2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine (PubChem CID 175576430) has the molecular formula C19H22ClF3N2O and a molecular weight of 386.85 g/mol. Its IUPAC name is 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine.

Molecular Properties

Compound Name2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine
PubChem CID175576430
Molecular FormulaC19H22ClF3N2O
Molecular Weight386.85 g/mol
Exact Mass386.14
IUPAC Name2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine
SMILESCN1C=CC(C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C=C1Cl
InChIInChI=1S/C19H22ClF3N2O/c1-24-9-6-16(12-18(24)20)15-7-10-25(11-8-15)13-14-2-4-17(5-3-14)26-19(21,22)23/h2-6,9,12,15-16H,7-8,10-11,13H2,1H3
InChIKeyMRUAGHBNNWIDTG-UHFFFAOYSA-N
XLogP4.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
4-chloro-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 114682246
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
1-[[3-chloro-5-(trifluoromethoxy)phenyl]methyl]-4-methylpiperidine
CID 130192199
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866
1-[[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methyl]-4-propan-2-ylpiperidine
CID 89411330
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
[1-[(4-aminophenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 19363752
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine?
The IUPAC name of 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine (CID 175576430) is 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine.
What is the SMILES notation for 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine?
The canonical SMILES for 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine is CN1C=CC(C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C=C1Cl.
What is the InChIKey of 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine?
The InChIKey is MRUAGHBNNWIDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N2O/c1-24-9-6-16(12-18(24)20)15-7-10-25(11-8-15)13-14-2-4-17(5-3-14)26-19(21,22)23/h2-6,9,12,15-16H,7-8,10-11,13H2,1H3.
What are the key properties of 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine?
2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine has a molecular weight of 386.85 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-4H-pyridine is sourced from PubChem (CID 175576430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).