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

C11H17Cl2FN2 — CID 53422102

IUPAC1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H15FN2.2ClH/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;;/h1-3,8,13H,4-7,9H2;2*1H
InChIKeyBRNBEBNBUUJUPC-UHFFFAOYSA-N
MW267.17 g/mol
LogP2.07
Rot. Bonds2

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

1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride (PubChem CID 53422102) has the molecular formula C11H17Cl2FN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
PubChem CID53422102
Molecular FormulaC11H17Cl2FN2
Molecular Weight267.17 g/mol
Exact Mass266.08
IUPAC Name1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C11H15FN2.2ClH/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;;/h1-3,8,13H,4-7,9H2;2*1H
InChIKeyBRNBEBNBUUJUPC-UHFFFAOYSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
1-[3-(piperazin-1-ylmethyl)phenyl]piperazin-2-one
CID 117438752
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906053
azane;1-benzylpiperazine
CID 174866973
1-[(3-fluorophenyl)methyl]-4-prop-2-ynylpiperazine
CID 138041794
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride (CID 53422102) is 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride is Cl.Cl.Fc1cccc(CN2CCNCC2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride?
The InChIKey is BRNBEBNBUUJUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2.2ClH/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14;;/h1-3,8,13H,4-7,9H2;2*1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride?
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride has a molecular weight of 267.17 g/mol, XLogP of 2.07, 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;dihydrochloride is sourced from PubChem (CID 53422102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).