1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine

C16H21F4NO — CID 134697243

IUPAC1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4NO/c1-2-8-22-13-4-3-7-21(11-13)10-12-5-6-15(17)14(9-12)16(18,19)20/h5-6,9,13H,2-4,7-8,10-11H2,1H3
InChIKeyMMSORIWZIBPIPB-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.24
Rot. Bonds5

About 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine

1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine (PubChem CID 134697243) has the molecular formula C16H21F4NO and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine.

Molecular Properties

Compound Name1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
PubChem CID134697243
Molecular FormulaC16H21F4NO
Molecular Weight319.34 g/mol
Exact Mass319.16
IUPAC Name1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H21F4NO/c1-2-8-22-13-4-3-7-21(11-13)10-12-5-6-15(17)14(9-12)16(18,19)20/h5-6,9,13H,2-4,7-8,10-11H2,1H3
InChIKeyMMSORIWZIBPIPB-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethoxypiperidine
CID 54990148
4-[(3-methoxypiperidin-1-yl)methyl]-2-(trifluoromethyl)phenol
CID 102969250
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
1-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975652
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 54985711
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 80505562
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(1-propan-2-ylimidazol-2-yl)piperidine
CID 72873646

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine?
The IUPAC name of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine (CID 134697243) is 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine.
What is the SMILES notation for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine?
The canonical SMILES for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine is CCCOC1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine?
The InChIKey is MMSORIWZIBPIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4NO/c1-2-8-22-13-4-3-7-21(11-13)10-12-5-6-15(17)14(9-12)16(18,19)20/h5-6,9,13H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine?
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine has a molecular weight of 319.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine is sourced from PubChem (CID 134697243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).