3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride

C21H24ClF2NO3 — CID 67831048

IUPAC3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO3.ClH/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)27-19-9-12-24(13-10-19)14-11-20(25)26;/h1-8,19,21H,9-14H2,(H,25,26);1H
InChIKeyJLRFMFVHVAQAHD-UHFFFAOYSA-N
MW411.88 g/mol
LogP4.43
Rot. Bonds7

About 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride

3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride (PubChem CID 67831048) has the molecular formula C21H24ClF2NO3 and a molecular weight of 411.88 g/mol. Its IUPAC name is 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
PubChem CID67831048
Molecular FormulaC21H24ClF2NO3
Molecular Weight411.88 g/mol
Exact Mass411.14
IUPAC Name3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO3.ClH/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)27-19-9-12-24(13-10-19)14-11-20(25)26;/h1-8,19,21H,9-14H2,(H,25,26);1H
InChIKeyJLRFMFVHVAQAHD-UHFFFAOYSA-N
XLogP4.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
CID 10316907
methyl 6-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]hexanoate;hydrochloride
CID 67903111
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;(E)-but-2-enedioic acid
CID 19874421
4-[bis(4-fluorophenyl)methoxy]-1-methylpiperidine;but-2-enedioic acid
CID 67831676
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
6-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]hexanoic acid;hydrochloride
CID 67903314
8-[1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidin-4-yl]octanoic acid
CID 67750378
4-[4-[(2-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoic acid;hydrochloride
CID 67831658
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
but-2-enedioic acid;7-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 67903102
but-2-enedioic acid;6-[4-[(4-tert-butylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoic acid
CID 67903218

Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride (CID 67831048) is 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride is Cl.O=C(O)CCN1CCC(OC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride?
The InChIKey is JLRFMFVHVAQAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO3.ClH/c22-17-5-1-15(2-6-17)21(16-3-7-18(23)8-4-16)27-19-9-12-24(13-10-19)14-11-20(25)26;/h1-8,19,21H,9-14H2,(H,25,26);1H.
What are the key properties of 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride?
3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride has a molecular weight of 411.88 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 67831048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).