(Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid

C8H12FNO2 — CID 105435399

IUPAC(Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid
SMILESO=C(O)/C(F)=C/C1CCNCC1
InChIInChI=1S/C8H12FNO2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,12)/b7-5-
InChIKeyWBFPMGXFOTYZOP-ALCCZGGFSA-N
MW173.19 g/mol
LogP0.92
Rot. Bonds2

About (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid

(Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid (PubChem CID 105435399) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid
PubChem CID105435399
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name(Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid
SMILESO=C(O)/C(F)=C/C1CCNCC1
InChIInChI=1S/C8H12FNO2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,12)/b7-5-
InChIKeyWBFPMGXFOTYZOP-ALCCZGGFSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(piperidin-4-yl)prop-2-enoic acid
CID 10057737
(e)-2-(Piperidin-3-ylidene)acetic acid trifluoroacetic acid salt
CID 66682741
2-Piperidin-3-ylideneacetic acid;2,2,2-trifluoroacetic acid
CID 66682743
(Z)-2-fluoro-3-(1-methylpiperidin-3-yl)prop-2-enoic acid
CID 115017252
(E)-3-(3-fluoro-1-methylpiperidin-4-yl)prop-2-enoic acid
CID 134534025
(E)-3-(5,5-difluoropiperidin-3-yl)prop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 138731972
(E)-3-(5,5-difluoropiperidin-3-yl)prop-2-enoic acid
CID 138731973
methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate
CID 105442517
(Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoic acid
CID 105442518
(Z)-2-fluoro-3-piperidin-3-ylprop-2-enoic acid
CID 115014116
2-Fluoro-2-(piperidin-4-ylidene)acetic acid
CID 130778205
(2Z)-2-(3-fluoropiperidin-4-ylidene)acetic acid
CID 175401709

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid (CID 105435399) is (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid is O=C(O)/C(F)=C/C1CCNCC1.
What is the InChIKey of (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid?
The InChIKey is WBFPMGXFOTYZOP-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12FNO2/c9-7(8(11)12)5-6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,12)/b7-5-.
What are the key properties of (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid?
(Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid has a molecular weight of 173.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoic acid is sourced from PubChem (CID 105435399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).