4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride

C14H20Cl2FNO — CID 73347528

IUPAC4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride
SMILESCOCC(c1ccc(F)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H19ClFNO.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-14(16)13(15)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H
InChIKeyDBZNPAHUGJSVMH-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.63
Rot. Bonds4

About 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride

4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride (PubChem CID 73347528) has the molecular formula C14H20Cl2FNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride
PubChem CID73347528
Molecular FormulaC14H20Cl2FNO
Molecular Weight308.22 g/mol
Exact Mass307.09
IUPAC Name4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride
SMILESCOCC(c1ccc(F)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H19ClFNO.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-14(16)13(15)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H
InChIKeyDBZNPAHUGJSVMH-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride (CID 73347528) is 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride is COCC(c1ccc(F)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
The InChIKey is DBZNPAHUGJSVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO.ClH/c1-18-9-12(10-4-6-17-7-5-10)11-2-3-14(16)13(15)8-11;/h2-3,8,10,12,17H,4-7,9H2,1H3;1H.
What are the key properties of 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride?
4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride has a molecular weight of 308.22 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 73347528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).