2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

C19H27FN2O2 — CID 70776154

IUPAC2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)c(F)c1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C19H27FN2O2/c20-17-13-15(6-7-18(17)23)14-19(24)22-11-2-1-5-16(22)8-12-21-9-3-4-10-21/h6-7,13,16,23H,1-5,8-12,14H2
InChIKeyMEFNNYKHQSKJEW-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 70776154) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID70776154
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(O)c(F)c1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C19H27FN2O2/c20-17-13-15(6-7-18(17)23)14-19(24)22-11-2-1-5-16(22)8-12-21-9-3-4-10-21/h6-7,13,16,23H,1-5,8-12,14H2
InChIKeyMEFNNYKHQSKJEW-UHFFFAOYSA-N
XLogP2.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methylphenyl)-1-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]ethanone
CID 97145614
2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 14810985
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63393969
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 11315337
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 63395198
1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111821
(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 56914375
2-(3,4-dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 558418
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
1-(2-propylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107033944
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 119466651

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (CID 70776154) is 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(O)c(F)c1)N1CCCCC1CCN1CCCC1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is MEFNNYKHQSKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c20-17-13-15(6-7-18(17)23)14-19(24)22-11-2-1-5-16(22)8-12-21-9-3-4-10-21/h6-7,13,16,23H,1-5,8-12,14H2.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 334.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70776154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).