1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride

C19H22ClFN2O2 — CID 53329789

IUPAC1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C19H21FN2O2.ClH/c20-16-2-4-17(5-3-16)22-11-9-21(10-12-22)8-7-15-1-6-18-19(13-15)24-14-23-18;/h1-6,13H,7-12,14H2;1H
InChIKeyZRXZOEJJESLISP-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride

1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride (PubChem CID 53329789) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
PubChem CID53329789
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C19H21FN2O2.ClH/c20-16-2-4-17(5-3-16)22-11-9-21(10-12-22)8-7-15-1-6-18-19(13-15)24-14-23-18;/h1-6,13H,7-12,14H2;1H
InChIKeyZRXZOEJJESLISP-UHFFFAOYSA-N
XLogP3.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-(4-chlorophenyl)piperazine
CID 69440754
1-[4-(1,3-benzodioxol-5-yl)butyl]-4-(4-chlorophenyl)piperazine
CID 69443078
N'-(1,3-benzodioxol-5-ylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390491
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CID 12816916
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
CID 82480573
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-chlorophenyl)piperazine
CID 791218
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-phenoxyethyl)piperazine;dihydrochloride
CID 66996145
4-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109221
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
N'-(1,3-benzodioxol-5-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390476
3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 43066995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride (CID 53329789) is 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride is Cl.Fc1ccc(N2CCN(CCc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride?
The InChIKey is ZRXZOEJJESLISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2.ClH/c20-16-2-4-17(5-3-16)22-11-9-21(10-12-22)8-7-15-1-6-18-19(13-15)24-14-23-18;/h1-6,13H,7-12,14H2;1H.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride?
1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride has a molecular weight of 364.85 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-fluorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 53329789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).