methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate

C17H24FNO3 — CID 97238847

IUPACmethyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate
SMILESCC[C@H](c1ccc(F)cc1)N1CCC([C@H](O)C(=O)OC)CC1
InChIInChI=1S/C17H24FNO3/c1-3-15(12-4-6-14(18)7-5-12)19-10-8-13(9-11-19)16(20)17(21)22-2/h4-7,13,15-16,20H,3,8-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyAOIJHWQFLWFUEH-CVEARBPZSA-N
MW309.38 g/mol
LogP2.52
Rot. Bonds5

About methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate

methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate (PubChem CID 97238847) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate
PubChem CID97238847
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Namemethyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate
SMILESCC[C@H](c1ccc(F)cc1)N1CCC([C@H](O)C(=O)OC)CC1
InChIInChI=1S/C17H24FNO3/c1-3-15(12-4-6-14(18)7-5-12)19-10-8-13(9-11-19)16(20)17(21)22-2/h4-7,13,15-16,20H,3,8-11H2,1-2H3/t15-,16+/m1/s1
InChIKeyAOIJHWQFLWFUEH-CVEARBPZSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922604
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl (2S)-2-(4-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)acetate
CID 95276178
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
(2S)-2-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butanoic acid
CID 129401525
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
CID 63595827
4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea
CID 71918180
2-[4-[1-(4-fluorophenyl)propyl]-1,4-diazepan-1-yl]acetic acid
CID 65061692
1-[1-[2-amino-1-(4-fluorophenyl)butyl]piperidin-4-yl]ethanol
CID 106835544
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489869

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate (CID 97238847) is methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate is CC[C@H](c1ccc(F)cc1)N1CCC([C@H](O)C(=O)OC)CC1.
What is the InChIKey of methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate?
The InChIKey is AOIJHWQFLWFUEH-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-3-15(12-4-6-14(18)7-5-12)19-10-8-13(9-11-19)16(20)17(21)22-2/h4-7,13,15-16,20H,3,8-11H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate?
methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate has a molecular weight of 309.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-[(1R)-1-(4-fluorophenyl)propyl]piperidin-4-yl]-2-hydroxyacetate is sourced from PubChem (CID 97238847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).