4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride

C18H21ClFNO2 — CID 90026685

IUPAC4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride
SMILESCl.Oc1ccc(-c2ccc(OCC3CCNCC3)c(F)c2)cc1
InChIInChI=1S/C18H20FNO2.ClH/c19-17-11-15(14-1-4-16(21)5-2-14)3-6-18(17)22-12-13-7-9-20-10-8-13;/h1-6,11,13,20-21H,7-10,12H2;1H
InChIKeyRLVXWSHIELSUCF-UHFFFAOYSA-N
MW337.82 g/mol
LogP4.00
Rot. Bonds4

About 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride

4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride (PubChem CID 90026685) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride
PubChem CID90026685
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC Name4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride
SMILESCl.Oc1ccc(-c2ccc(OCC3CCNCC3)c(F)c2)cc1
InChIInChI=1S/C18H20FNO2.ClH/c19-17-11-15(14-1-4-16(21)5-2-14)3-6-18(17)22-12-13-7-9-20-10-8-13;/h1-6,11,13,20-21H,7-10,12H2;1H
InChIKeyRLVXWSHIELSUCF-UHFFFAOYSA-N
XLogP4.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(1-tert-butylpiperidin-4-yl)methoxy]-3-fluorophenyl]phenol
CID 172690145
(3R)-6-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]-1,3λ4-benzoxathiole 3-oxide
CID 139509700
2-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]ethanamine
CID 170886569
6-[3-fluoro-4-(pyrrolidin-3-ylmethoxy)phenyl]-1,3λ4-benzoxathiole 3-oxide
CID 139509634
(3S)-3-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 86321601
3-fluoro-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 62372817
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
4-[(4-ethoxy-3-fluorophenyl)methyl]piperidine
CID 82291965
4-[(4-bromo-2-phenylphenoxy)methyl]piperidine;hydrochloride
CID 56830778
4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenol
CID 90022757
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride?
The IUPAC name of 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride (CID 90026685) is 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride.
What is the SMILES notation for 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride?
The canonical SMILES for 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride is Cl.Oc1ccc(-c2ccc(OCC3CCNCC3)c(F)c2)cc1.
What is the InChIKey of 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride?
The InChIKey is RLVXWSHIELSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2.ClH/c19-17-11-15(14-1-4-16(21)5-2-14)3-6-18(17)22-12-13-7-9-20-10-8-13;/h1-6,11,13,20-21H,7-10,12H2;1H.
What are the key properties of 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride?
4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride has a molecular weight of 337.82 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(piperidin-4-ylmethoxy)phenyl]phenol;hydrochloride is sourced from PubChem (CID 90026685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).