[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

C14H16F3NO2 — CID 124679751

IUPAC[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCO[C@@]1(C)CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C14H16F3NO2/c1-14(20-2)4-3-5-18(8-14)13(19)9-6-10(15)12(17)11(16)7-9/h6-7H,3-5,8H2,1-2H3/t14-/m0/s1
InChIKeyQNIAYFCAMOJKEK-AWEZNQCLSA-N
MW287.28 g/mol
LogP2.74
Rot. Bonds2

About [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone

[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (PubChem CID 124679751) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
PubChem CID124679751
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCO[C@@]1(C)CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C14H16F3NO2/c1-14(20-2)4-3-5-18(8-14)13(19)9-6-10(15)12(17)11(16)7-9/h6-7H,3-5,8H2,1-2H3/t14-/m0/s1
InChIKeyQNIAYFCAMOJKEK-AWEZNQCLSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107395020
(3,5-dibromophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470761
3-methyl-1-(3,4,5-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 63187130
(4-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392960
(3-bromo-5-chlorophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470758
(4-hydroxy-3-methylphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470864
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
(4-bromo-3-hydroxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470874
2,3-dihydro-1H-indol-6-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392419
[3-amino-4-(dimethylamino)phenyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390317
(4-amino-3-nitrophenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394866
(3-methoxy-3-methylpiperidin-1-yl)-(2H-triazolo[4,5-b]pyridin-6-yl)methanone
CID 154789681

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone (CID 124679751) is [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone is CO[C@@]1(C)CCCN(C(=O)c2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The InChIKey is QNIAYFCAMOJKEK-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-14(20-2)4-3-5-18(8-14)13(19)9-6-10(15)12(17)11(16)7-9/h6-7H,3-5,8H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone?
[(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone has a molecular weight of 287.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxy-3-methylpiperidin-1-yl]-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 124679751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).