2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride

C20H25ClFNO — CID 70109158

IUPAC2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(Cc2ccc(OCCC3CCCCN3)cc2)cc1
InChIInChI=1S/C20H24FNO.ClH/c21-18-8-4-16(5-9-18)15-17-6-10-20(11-7-17)23-14-12-19-3-1-2-13-22-19;/h4-11,19,22H,1-3,12-15H2;1H
InChIKeyAUDQQGHRMHWURR-UHFFFAOYSA-N
MW349.88 g/mol
LogP4.75
Rot. Bonds6

About 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride

2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride (PubChem CID 70109158) has the molecular formula C20H25ClFNO and a molecular weight of 349.88 g/mol. Its IUPAC name is 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
PubChem CID70109158
Molecular FormulaC20H25ClFNO
Molecular Weight349.88 g/mol
Exact Mass349.16
IUPAC Name2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(Cc2ccc(OCCC3CCCCN3)cc2)cc1
InChIInChI=1S/C20H24FNO.ClH/c21-18-8-4-16(5-9-18)15-17-6-10-20(11-7-17)23-14-12-19-3-1-2-13-22-19;/h4-11,19,22H,1-3,12-15H2;1H
InChIKeyAUDQQGHRMHWURR-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-benzylphenoxy)ethyl]piperidine;hydrochloride
CID 56830376
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
CID 70091402
2-[2-(4-cyclohexyloxyphenoxy)ethyl]piperidine
CID 54293504
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
4-[2-[(2R)-piperidin-2-yl]ethoxy]benzonitrile
CID 21309815
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride (CID 70109158) is 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride is Cl.Fc1ccc(Cc2ccc(OCCC3CCCCN3)cc2)cc1.
What is the InChIKey of 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride?
The InChIKey is AUDQQGHRMHWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO.ClH/c21-18-8-4-16(5-9-18)15-17-6-10-20(11-7-17)23-14-12-19-3-1-2-13-22-19;/h4-11,19,22H,1-3,12-15H2;1H.
What are the key properties of 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride?
2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 70109158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).