2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride

C20H25ClFNO3 — CID 162329951

IUPAC2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCC(O)CC2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3.ClH/c21-16-3-1-15(2-4-16)13-17-14-19(24)9-10-22(17)11-12-25-20-7-5-18(23)6-8-20;/h1-8,17,19,23-24H,9-14H2;1H
InChIKeyLNMRHXSDLLZCTE-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.40
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride

2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride (PubChem CID 162329951) has the molecular formula C20H25ClFNO3 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride
PubChem CID162329951
Molecular FormulaC20H25ClFNO3
Molecular Weight381.88 g/mol
Exact Mass381.15
IUPAC Name2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride
SMILESCl.Oc1ccc(OCCN2CCC(O)CC2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3.ClH/c21-16-3-1-15(2-4-16)13-17-14-19(24)9-10-22(17)11-12-25-20-7-5-18(23)6-8-20;/h1-8,17,19,23-24H,9-14H2;1H
InChIKeyLNMRHXSDLLZCTE-UHFFFAOYSA-N
XLogP3.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 18621618
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
CID 70113962
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 59354971
1-[[4-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 12070098
4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 67700074
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 12070072
5-(2,5-difluorophenyl)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 71844705
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
CID 67623117

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride (CID 162329951) is 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride is Cl.Oc1ccc(OCCN2CCC(O)CC2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride?
The InChIKey is LNMRHXSDLLZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3.ClH/c21-16-3-1-15(2-4-16)13-17-14-19(24)9-10-22(17)11-12-25-20-7-5-18(23)6-8-20;/h1-8,17,19,23-24H,9-14H2;1H.
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride?
2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride has a molecular weight of 381.88 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 162329951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).