[4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C16H20F3NO2 — CID 53150845

IUPAC[4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOCCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO2/c1-22-11-8-12-6-9-20(10-7-12)15(21)13-4-2-3-5-14(13)16(17,18)19/h2-5,12H,6-11H2,1H3
InChIKeyCPWHGBUWDWCVBU-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.59
Rot. Bonds4

About [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 53150845) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID53150845
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name[4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCOCCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H20F3NO2/c1-22-11-8-12-6-9-20(10-7-12)15(21)13-4-2-3-5-14(13)16(17,18)19/h2-5,12H,6-11H2,1H3
InChIKeyCPWHGBUWDWCVBU-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553615
N-benzyl-N,2-dimethylbenzamide
CID 779170
N-Benzyl-N-ethyl-2-methylbenzamide
CID 576969
1-(3-Fluorobenzoyl)-4-(3-methylbutanoyl)piperazine
CID 704283
(2-Fluorophenyl){4-[2-(trifluoromethyl)benzyl]piperazin-1-yl}methanone
CID 1112866
1-(2-Methylbenzoyl)-4-piperidinecarboxamide
CID 1360579
Ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate
CID 18760283
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
[3-(Trifluoromethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 72195368
1-Benzoyl-4-tert-butylpiperidine
CID 357556
4-[2-(2-Phenylethyl)benzoyl]morpholine
CID 1255389
[1-(4-Fluorobenzoyl)-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 16188882

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 53150845) is [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is COCCC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is CPWHGBUWDWCVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-22-11-8-12-6-9-20(10-7-12)15(21)13-4-2-3-5-14(13)16(17,18)19/h2-5,12H,6-11H2,1H3.
What are the key properties of [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 315.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53150845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).