4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride

C14H20ClF2N — CID 21180652

IUPAC4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(CCCC2CCNCC2)c(F)c1
InChIInChI=1S/C14H19F2N.ClH/c15-13-5-4-12(14(16)10-13)3-1-2-11-6-8-17-9-7-11;/h4-5,10-11,17H,1-3,6-9H2;1H
InChIKeyRPSSKSVAYRECJN-UHFFFAOYSA-N
MW275.77 g/mol
LogP3.71
Rot. Bonds4

About 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride

4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride (PubChem CID 21180652) has the molecular formula C14H20ClF2N and a molecular weight of 275.77 g/mol. Its IUPAC name is 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
PubChem CID21180652
Molecular FormulaC14H20ClF2N
Molecular Weight275.77 g/mol
Exact Mass275.13
IUPAC Name4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(CCCC2CCNCC2)c(F)c1
InChIInChI=1S/C14H19F2N.ClH/c15-13-5-4-12(14(16)10-13)3-1-2-11-6-8-17-9-7-11;/h4-5,10-11,17H,1-3,6-9H2;1H
InChIKeyRPSSKSVAYRECJN-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(2,4-difluorophenyl)propyl]piperidine
CID 21180653
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224
1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
4-[3-(3,5-difluorophenyl)propyl]piperidine
CID 21180614
4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
4-[3-[5-(4-fluorophenyl)sulfinyl-2-methylphenyl]propyl]piperidine
CID 143209716
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
1-(2,4-difluorophenyl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 22068232
4-[[2-fluoro-5-(4-fluorophenyl)phenyl]methyl]piperidine
CID 117463711
4-[(2,5-difluorophenyl)methyl]azepane
CID 83262438

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride?
The IUPAC name of 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride (CID 21180652) is 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride?
The canonical SMILES for 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride is Cl.Fc1ccc(CCCC2CCNCC2)c(F)c1.
What is the InChIKey of 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride?
The InChIKey is RPSSKSVAYRECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N.ClH/c15-13-5-4-12(14(16)10-13)3-1-2-11-6-8-17-9-7-11;/h4-5,10-11,17H,1-3,6-9H2;1H.
What are the key properties of 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride?
4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride has a molecular weight of 275.77 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-difluorophenyl)propyl]piperidine;hydrochloride is sourced from PubChem (CID 21180652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).