1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine

C18H28N2O2 — CID 171310993

IUPAC1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14(2)3-5-16(20-9-7-19-8-10-20)15-4-6-17-18(13-15)22-12-11-21-17/h4,6,13-14,16,19H,3,5,7-12H2,1-2H3/t16-/m1/s1
InChIKeyXYZWIXDHXDFYEE-MRXNPFEDSA-N
MW304.43 g/mol
LogP2.84
Rot. Bonds5

About 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine

1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine (PubChem CID 171310993) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
PubChem CID171310993
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine
SMILESCC(C)CC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1
InChIInChI=1S/C18H28N2O2/c1-14(2)3-5-16(20-9-7-19-8-10-20)15-4-6-17-18(13-15)22-12-11-21-17/h4,6,13-14,16,19H,3,5,7-12H2,1-2H3/t16-/m1/s1
InChIKeyXYZWIXDHXDFYEE-MRXNPFEDSA-N
XLogP2.84
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]piperazine
CID 28798830
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,4,4-trifluorobutyl]piperazine
CID 171170564
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine
CID 95479287
1-[(1S)-1-(1,3-benzodioxol-5-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171284492
1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
CID 171297110
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutyl]piperazine
CID 171305376
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
1-[(1S)-1-(1,3-benzodioxol-5-yl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171297096
1-[(1S)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310312
1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
CID 171310667
1-[(1S)-4-methyl-1-(4-phenylphenyl)pentyl]piperazine
CID 171310273
trimethyl-[4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenoxy]silane
CID 171311005

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine (CID 171310993) is 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine is CC(C)CC[C@H](c1ccc2c(c1)OCCO2)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine?
The InChIKey is XYZWIXDHXDFYEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)3-5-16(20-9-7-19-8-10-20)15-4-6-17-18(13-15)22-12-11-21-17/h4,6,13-14,16,19H,3,5,7-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine?
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine has a molecular weight of 304.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171310993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).