3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride

C13H19ClFN — CID 126844820

IUPAC3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(CCC2CCCNC2)cc1
InChIInChI=1S/C13H18FN.ClH/c14-13-7-5-11(6-8-13)3-4-12-2-1-9-15-10-12;/h5-8,12,15H,1-4,9-10H2;1H
InChIKeyJJWRNHGFBMDITM-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.18
Rot. Bonds3

About 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride

3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride (PubChem CID 126844820) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
PubChem CID126844820
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(CCC2CCCNC2)cc1
InChIInChI=1S/C13H18FN.ClH/c14-13-7-5-11(6-8-13)3-4-12-2-1-9-15-10-12;/h5-8,12,15H,1-4,9-10H2;1H
InChIKeyJJWRNHGFBMDITM-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
3-[2-(4-fluorophenyl)ethoxymethyl]piperidine
CID 45074936
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
N-[2-(4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopentanamine;hydrochloride
CID 119932442
1-(4-chlorophenyl)-3-[4-(2-piperidin-3-ylethyl)phenyl]urea;hydrochloride
CID 67240233
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
4-(2-piperidin-3-ylethyl)pyridin-2-amine;dihydrochloride
CID 167995844
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride (CID 126844820) is 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride is Cl.Fc1ccc(CCC2CCCNC2)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
The InChIKey is JJWRNHGFBMDITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN.ClH/c14-13-7-5-11(6-8-13)3-4-12-2-1-9-15-10-12;/h5-8,12,15H,1-4,9-10H2;1H.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride?
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride has a molecular weight of 243.75 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 126844820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).