1-[(3-fluorophenyl)methyl]piperazine;hydrochloride

C11H16ClFN2 — CID 17372747

IUPAC1-[(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H15FN2.ClH/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;/h1-3,8,13H,4-7,9H2;1H
InChIKeyOFWHWGFADDKKHZ-UHFFFAOYSA-N
MW230.71 g/mol
LogP1.65
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride

1-[(3-fluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 17372747) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]piperazine;hydrochloride
PubChem CID17372747
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name1-[(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H15FN2.ClH/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;/h1-3,8,13H,4-7,9H2;1H
InChIKeyOFWHWGFADDKKHZ-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride (CID 17372747) is 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1cccc(CN2CCNCC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is OFWHWGFADDKKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2.ClH/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;/h1-3,8,13H,4-7,9H2;1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride?
1-[(3-fluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 230.71 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 17372747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).