1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

C19H21ClN2O2 — CID 19375619

IUPAC1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESClc1cc2c(c(N3CCN(Cc4ccccc4)CC3)c1)OCCO2
InChIInChI=1S/C19H21ClN2O2/c20-16-12-17(19-18(13-16)23-10-11-24-19)22-8-6-21(7-9-22)14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2
InChIKeyICHKWZRXSWSIEH-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.43
Rot. Bonds3

About 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine

1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (PubChem CID 19375619) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
PubChem CID19375619
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
SMILESClc1cc2c(c(N3CCN(Cc4ccccc4)CC3)c1)OCCO2
InChIInChI=1S/C19H21ClN2O2/c20-16-12-17(19-18(13-16)23-10-11-24-19)22-8-6-21(7-9-22)14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2
InChIKeyICHKWZRXSWSIEH-UHFFFAOYSA-N
XLogP3.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 132787
S 14489
CID 182595
1-Biphenyl-3-ylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine
CID 9932051
1-[3-(7-Bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine
CID 10338821
4-(Benzodioxan-5-yl)-1-[2-(ind-1-en-1-yl)-ethyl]-piperazine
CID 10451312
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(1H-inden-2-yl)ethyl]piperazine
CID 10361292
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-butyl)-piperazine; hydrochloride
CID 10405775
1-(2-Cyclohexyl-ethyl)-4-(2,3-dihydro-benzo[1,4]dioxin-5-yl)-piperazine; hydrochloride
CID 10471851
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(3-phenoxypropyl)piperazine;hydrochloride
CID 45261096
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(2-phenoxyethyl)piperazine;hydrochloride
CID 45261110
1-(2,3-Dihydro-1,4-benzodioxin-5-yl)-4-(4-phenylbutyl)piperazine;hydrochloride
CID 45261114
1-(2-Cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
CID 45261126

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The IUPAC name of 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine (CID 19375619) is 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine.
What is the SMILES notation for 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The canonical SMILES for 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is Clc1cc2c(c(N3CCN(Cc4ccccc4)CC3)c1)OCCO2.
What is the InChIKey of 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
The InChIKey is ICHKWZRXSWSIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-12-17(19-18(13-16)23-10-11-24-19)22-8-6-21(7-9-22)14-15-4-2-1-3-5-15/h1-5,12-13H,6-11,14H2.
What are the key properties of 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine?
1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine has a molecular weight of 344.84 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazine is sourced from PubChem (CID 19375619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).