2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde

C22H26FNO4 — CID 143596671

IUPAC2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde
SMILESC=O.C=O.CC1CCN(c2ccc(F)cc2)CC1c1cccc(CC(=O)O)c1
InChIInChI=1S/C20H22FNO2.2CH2O/c1-14-9-10-22(18-7-5-17(21)6-8-18)13-19(14)16-4-2-3-15(11-16)12-20(23)24;2*1-2/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24);2*1H2
InChIKeyWYGKLQGHKTXHLX-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.71
Rot. Bonds4

About 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde

2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde (PubChem CID 143596671) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde.

Molecular Properties

Compound Name2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde
PubChem CID143596671
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde
SMILESC=O.C=O.CC1CCN(c2ccc(F)cc2)CC1c1cccc(CC(=O)O)c1
InChIInChI=1S/C20H22FNO2.2CH2O/c1-14-9-10-22(18-7-5-17(21)6-8-18)13-19(14)16-4-2-3-15(11-16)12-20(23)24;2*1-2/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24);2*1H2
InChIKeyWYGKLQGHKTXHLX-UHFFFAOYSA-N
XLogP3.71
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid
CID 24863183
methyl 2-[3-[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]phenyl]acetate
CID 24862933
2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
CID 24863517
N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86933953
2-[3-(4-methylsulfonylpiperidin-1-yl)phenyl]acetic acid
CID 135263323
2-[3-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 24863427
2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 24862857
2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methylphenyl]acetic acid
CID 24863259
2-[4-(3-hydroxyazetidin-1-yl)phenyl]acetic acid
CID 83820204
3-[(2S,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]propanoic acid
CID 124694167
2-(3-methylphenyl)-1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]ethanone
CID 113079066
2-[3-(azepan-1-yl)phenyl]acetic acid
CID 79695336

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde?
The IUPAC name of 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde (CID 143596671) is 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde.
What is the SMILES notation for 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde?
The canonical SMILES for 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde is C=O.C=O.CC1CCN(c2ccc(F)cc2)CC1c1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde?
The InChIKey is WYGKLQGHKTXHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2.2CH2O/c1-14-9-10-22(18-7-5-17(21)6-8-18)13-19(14)16-4-2-3-15(11-16)12-20(23)24;2*1-2/h2-8,11,14,19H,9-10,12-13H2,1H3,(H,23,24);2*1H2.
What are the key properties of 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde?
2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde has a molecular weight of 387.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde is sourced from PubChem (CID 143596671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).