1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride

C20H31ClN2O2 — CID 45261126

IUPAC1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
SMILESCl.c1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2
InChIInChI=1S/C20H30N2O2.ClH/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19;/h4,7-8,17H,1-3,5-6,9-16H2;1H
InChIKeyOGXUCDJVTBAMFB-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.97
Rot. Bonds4

About 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride

1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride (PubChem CID 45261126) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
PubChem CID45261126
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
SMILESCl.c1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2
InChIInChI=1S/C20H30N2O2.ClH/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19;/h4,7-8,17H,1-3,5-6,9-16H2;1H
InChIKeyOGXUCDJVTBAMFB-UHFFFAOYSA-N
XLogP3.97
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
The IUPAC name of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride (CID 45261126) is 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride is Cl.c1cc2c(c(N3CCN(CCC4CCCCC4)CC3)c1)OCCO2.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
The InChIKey is OGXUCDJVTBAMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19;/h4,7-8,17H,1-3,5-6,9-16H2;1H.
What are the key properties of 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride?
1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride is sourced from PubChem (CID 45261126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).