1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride

C21H27ClFNO2 — CID 23294491

IUPAC1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
SMILESCOc1ccc(CC2CCN(CCOc3ccc(F)cc3)CC2)cc1.Cl
InChIInChI=1S/C21H26FNO2.ClH/c1-24-20-6-2-17(3-7-20)16-18-10-12-23(13-11-18)14-15-25-21-8-4-19(22)5-9-21;/h2-9,18H,10-16H2,1H3;1H
InChIKeyOFJDMBFPLSXIAY-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.59
Rot. Bonds7

About 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride

1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride (PubChem CID 23294491) has the molecular formula C21H27ClFNO2 and a molecular weight of 379.90 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
PubChem CID23294491
Molecular FormulaC21H27ClFNO2
Molecular Weight379.90 g/mol
Exact Mass379.17
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
SMILESCOc1ccc(CC2CCN(CCOc3ccc(F)cc3)CC2)cc1.Cl
InChIInChI=1S/C21H26FNO2.ClH/c1-24-20-6-2-17(3-7-20)16-18-10-12-23(13-11-18)14-15-25-21-8-4-19(22)5-9-21;/h2-9,18H,10-16H2,1H3;1H
InChIKeyOFJDMBFPLSXIAY-UHFFFAOYSA-N
XLogP4.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
2-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 19085444
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
CID 86278511
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride (CID 23294491) is 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride is COc1ccc(CC2CCN(CCOc3ccc(F)cc3)CC2)cc1.Cl.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride?
The InChIKey is OFJDMBFPLSXIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2.ClH/c1-24-20-6-2-17(3-7-20)16-18-10-12-23(13-11-18)14-15-25-21-8-4-19(22)5-9-21;/h2-9,18H,10-16H2,1H3;1H.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride?
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride has a molecular weight of 379.90 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 23294491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).