4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride

C14H21ClFN — CID 175461872

IUPAC4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
SMILESCCC(c1ccc(F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C14H20FN.ClH/c1-2-14(12-7-9-16-10-8-12)11-3-5-13(15)6-4-11;/h3-6,12,14,16H,2,7-10H2,1H3;1H
InChIKeyYLRCMCMYPVTSPW-UHFFFAOYSA-N
MW257.78 g/mol
LogP3.74
Rot. Bonds3

About 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride

4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride (PubChem CID 175461872) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
PubChem CID175461872
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
SMILESCCC(c1ccc(F)cc1)C1CCNCC1.Cl
InChIInChI=1S/C14H20FN.ClH/c1-2-14(12-7-9-16-10-8-12)11-3-5-13(15)6-4-11;/h3-6,12,14,16H,2,7-10H2,1H3;1H
InChIKeyYLRCMCMYPVTSPW-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride (CID 175461872) is 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride is CCC(c1ccc(F)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride?
The InChIKey is YLRCMCMYPVTSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN.ClH/c1-2-14(12-7-9-16-10-8-12)11-3-5-13(15)6-4-11;/h3-6,12,14,16H,2,7-10H2,1H3;1H.
What are the key properties of 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride?
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride has a molecular weight of 257.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride is sourced from PubChem (CID 175461872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).