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

C20H24Cl2FNO — CID 18621618

IUPAC2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(OCCN2CCCCC2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClFNO.ClH/c21-17-6-4-16(5-7-17)15-19-3-1-2-12-23(19)13-14-24-20-10-8-18(22)9-11-20;/h4-11,19H,1-3,12-15H2;1H
InChIKeyYHNKBGKAYLELAR-UHFFFAOYSA-N
MW384.32 g/mol
LogP5.38
Rot. Bonds6

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

2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride (PubChem CID 18621618) has the molecular formula C20H24Cl2FNO and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
PubChem CID18621618
Molecular FormulaC20H24Cl2FNO
Molecular Weight384.32 g/mol
Exact Mass383.12
IUPAC Name2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(OCCN2CCCCC2Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClFNO.ClH/c21-17-6-4-16(5-7-17)15-19-3-1-2-12-23(19)13-14-24-20-10-8-18(22)9-11-20;/h4-11,19H,1-3,12-15H2;1H
InChIKeyYHNKBGKAYLELAR-UHFFFAOYSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.32
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
CID 70113962
2-[(4-fluorophenyl)methyl]-1-[2-(4-hydroxyphenoxy)ethyl]piperidin-4-ol;hydrochloride
CID 162329951
4-[2-[2-[(2-chlorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 67700074
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
4-[2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 23452544
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275
1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 131949920
1-[2-(4-bromophenoxy)ethyl]-2-(chloromethyl)azepane
CID 116638587
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride (CID 18621618) is 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride is Cl.Fc1ccc(OCCN2CCCCC2Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride?
The InChIKey is YHNKBGKAYLELAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO.ClH/c21-17-6-4-16(5-7-17)15-19-3-1-2-12-23(19)13-14-24-20-10-8-18(22)9-11-20;/h4-11,19H,1-3,12-15H2;1H.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride?
2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride has a molecular weight of 384.32 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 18621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).