[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate

C14H18FNO3 — CID 769252

IUPAC[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
SMILESCN1CCC[C@H](OC(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c1-16-8-2-3-13(9-16)19-14(17)10-18-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyJJVMNOUACCFPSQ-ZDUSSCGKSA-N
MW267.30 g/mol
LogP1.84
Rot. Bonds4

About [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate

[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate (PubChem CID 769252) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate.

Molecular Properties

Compound Name[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
PubChem CID769252
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
SMILESCN1CCC[C@H](OC(=O)COc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO3/c1-16-8-2-3-13(9-16)19-14(17)10-18-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1
InChIKeyJJVMNOUACCFPSQ-ZDUSSCGKSA-N
XLogP1.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-methylpiperidin-3-yl] 2-(4-bromophenoxy)acetate
CID 895719
[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
(1-methylpiperidin-1-ium-3-yl) 2-(4-fluorophenoxy)acetate chloride
CID 44656295
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
bis[(3R)-1-methylpiperidin-3-yl] pentanedioate
CID 6363199
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
2-(4-fluorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371982
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 50874469
1-(3,4-dimethylpiperazin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 110707653
2-(4-fluorophenoxy)-1-[3-[(3R)-1-methylpiperidin-3-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 92623966
methyl 2-(4-fluorophenoxy)acetate
CID 580550

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate?
The IUPAC name of [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate (CID 769252) is [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate.
What is the SMILES notation for [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate?
The canonical SMILES for [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate is CN1CCC[C@H](OC(=O)COc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate?
The InChIKey is JJVMNOUACCFPSQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-16-8-2-3-13(9-16)19-14(17)10-18-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate?
[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate has a molecular weight of 267.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate is sourced from PubChem (CID 769252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).