(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride

C20H23ClFNO2 — CID 70091402

IUPAC(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)c1ccc(OCCC2CCCCN2)cc1
InChIInChI=1S/C20H22FNO2.ClH/c21-17-8-4-15(5-9-17)20(23)16-6-10-19(11-7-16)24-14-12-18-3-1-2-13-22-18;/h4-11,18,22H,1-3,12-14H2;1H
InChIKeyUGUGHSFFHXKIQF-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.39
Rot. Bonds6

About (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride

(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride (PubChem CID 70091402) has the molecular formula C20H23ClFNO2 and a molecular weight of 363.86 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
PubChem CID70091402
Molecular FormulaC20H23ClFNO2
Molecular Weight363.86 g/mol
Exact Mass363.14
IUPAC Name(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)cc1)c1ccc(OCCC2CCCCN2)cc1
InChIInChI=1S/C20H22FNO2.ClH/c21-17-8-4-15(5-9-17)20(23)16-6-10-19(11-7-16)24-14-12-18-3-1-2-13-22-18;/h4-11,18,22H,1-3,12-14H2;1H
InChIKeyUGUGHSFFHXKIQF-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoic acid
CID 94751423
4-(2-piperidin-2-ylethoxy)benzamide
CID 43150005
2-[2-[4-[(4-fluorophenyl)methyl]phenoxy]ethyl]piperidine;hydrochloride
CID 70109158
1-[4-[2-[(2R)-piperidin-2-yl]ethoxy]phenyl]ethanone
CID 86320597
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
benzyl 4-[2-[(2S)-piperidin-2-yl]ethoxy]benzoate
CID 86321634
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]piperidine
CID 28749865
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
4-[2-(4-fluorophenoxy)ethyl]-1-(6-piperidin-2-ylhexyl)piperidine;dihydrochloride
CID 70080514
4-methoxy-N-(4-methoxyphenyl)-N-[4-(2-piperidin-2-ylethoxy)phenyl]benzamide
CID 69172491

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride?
The IUPAC name of (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride (CID 70091402) is (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride is Cl.O=C(c1ccc(F)cc1)c1ccc(OCCC2CCCCN2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride?
The InChIKey is UGUGHSFFHXKIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2.ClH/c21-17-8-4-15(5-9-17)20(23)16-6-10-19(11-7-16)24-14-12-18-3-1-2-13-22-18;/h4-11,18,22H,1-3,12-14H2;1H.
What are the key properties of (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride?
(4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride has a molecular weight of 363.86 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-piperidin-2-ylethoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 70091402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).