[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C14H16F3NO3 — CID 170306056

IUPAC[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOc1ccccc1C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO3/c1-20-12-5-3-2-4-11(12)10-6-8-18(9-7-10)21-13(19)14(15,16)17/h2-5,10H,6-9H2,1H3
InChIKeyDSSIVAFZZFXHOP-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.90
Rot. Bonds3

About [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 170306056) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID170306056
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCOc1ccccc1C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO3/c1-20-12-5-3-2-4-11(12)10-6-8-18(9-7-10)21-13(19)14(15,16)17/h2-5,10H,6-9H2,1H3
InChIKeyDSSIVAFZZFXHOP-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxy-2-pyridinyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 118108096
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
[4-(2-methoxyphenyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 2728063
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641729
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 5161698
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 56993017
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 170306056) is [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate is COc1ccccc1C1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is DSSIVAFZZFXHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-20-12-5-3-2-4-11(12)10-6-8-18(9-7-10)21-13(19)14(15,16)17/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 303.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 170306056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).