4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride

C20H25ClFNO2 — CID 23294365

IUPAC4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCC(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FNO2.ClH/c21-20-4-2-1-3-17(20)15-16-9-11-22(12-10-16)13-14-24-19-7-5-18(23)6-8-19;/h1-8,16,23H,9-15H2;1H
InChIKeyCXJFPHSHJBEKIU-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.29
Rot. Bonds6

About 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride

4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride (PubChem CID 23294365) has the molecular formula C20H25ClFNO2 and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
PubChem CID23294365
Molecular FormulaC20H25ClFNO2
Molecular Weight365.88 g/mol
Exact Mass365.16
IUPAC Name4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCC(Cc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FNO2.ClH/c21-20-4-2-1-3-17(20)15-16-9-11-22(12-10-16)13-14-24-19-7-5-18(23)6-8-19;/h1-8,16,23H,9-15H2;1H
InChIKeyCXJFPHSHJBEKIU-UHFFFAOYSA-N
XLogP4.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
2-fluoro-4-[2-[3-[(2-fluorophenyl)methyl]pyrrolidin-1-yl]ethoxy]phenol
CID 54115631
3-[(2-fluorophenyl)methyl]-1-[2-(3-methyl-4-phenylmethoxyphenoxy)ethyl]pyrrolidine;hydrochloride
CID 70072153
4-[(2-chlorophenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidine
CID 70293631
4-[2-[4-[chloro(phenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294474
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The IUPAC name of 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride (CID 23294365) is 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride.
What is the SMILES notation for 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The canonical SMILES for 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride is Cl.Oc1ccc(OCCN2CCC(Cc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
The InChIKey is CXJFPHSHJBEKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2.ClH/c21-20-4-2-1-3-17(20)15-16-9-11-22(12-10-16)13-14-24-19-7-5-18(23)6-8-19;/h1-8,16,23H,9-15H2;1H.
What are the key properties of 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride?
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride is sourced from PubChem (CID 23294365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).