(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C20H20F3NO2 — CID 155318665

IUPAC(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)17-10-12-24(13-11-17)19(25)16-6-8-18(9-7-16)26-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyNPXDTOPOTFKBTA-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.68
Rot. Bonds4

About (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 155318665) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID155318665
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C20H20F3NO2/c21-20(22,23)17-10-12-24(13-11-17)19(25)16-6-8-18(9-7-16)26-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyNPXDTOPOTFKBTA-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
2,7-diazaspiro[3.5]nonan-7-yl-(4-phenylmethoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 172894977
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
4-phenylmethoxybenzoic acid
CID 68896574
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 52500753
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
1-[4-(pyridin-4-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349671
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
[4-(ethylaminomethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119645905

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 155318665) is (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc(OCc2ccccc2)cc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is NPXDTOPOTFKBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO2/c21-20(22,23)17-10-12-24(13-11-17)19(25)16-6-8-18(9-7-16)26-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2.
What are the key properties of (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 363.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 155318665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).