piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone

C14H15F4NO2 — CID 154455683

IUPACpiperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)C(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H15F4NO2/c15-13(16)14(17,18)21-11-6-4-10(5-7-11)12(20)19-8-2-1-3-9-19/h4-7,13H,1-3,8-9H2
InChIKeyBYNCUBPHQRTFQJ-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.55
Rot. Bonds4

About piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone

piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone (PubChem CID 154455683) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
PubChem CID154455683
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Namepiperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)C(F)F)cc1)N1CCCCC1
InChIInChI=1S/C14H15F4NO2/c15-13(16)14(17,18)21-11-6-4-10(5-7-11)12(20)19-8-2-1-3-9-19/h4-7,13H,1-3,8-9H2
InChIKeyBYNCUBPHQRTFQJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 62491616
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[1-[4-(difluoromethoxy)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026644
2-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111036755
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
N-[4-(azepane-1-carbonyl)phenyl]-3,3,3-trifluoropropanamide
CID 47063386
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
phenyl N-[4-(piperidine-1-carbonyl)phenyl]carbamate
CID 154636920
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
CID 146008854

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone (CID 154455683) is piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)C(F)F)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone?
The InChIKey is BYNCUBPHQRTFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-13(16)14(17,18)21-11-6-4-10(5-7-11)12(20)19-8-2-1-3-9-19/h4-7,13H,1-3,8-9H2.
What are the key properties of piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone?
piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone has a molecular weight of 305.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone is sourced from PubChem (CID 154455683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).