1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol

C39H72N10O2 — CID 159486851

IUPAC1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol
SMILESCCN1CCNCC1.CN1CCNCC1.COc1ccccc1N1CCNCC1.OCCN1CCNCC1.c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H16N2O.C11H16N2.C6H14N2O.C6H14N2.C5H12N2/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;9-6-5-8-3-1-7-2-4-8;1-2-8-5-3-7-4-6-8;1-7-4-2-6-3-5-7/h2-5,12H,6-9H2,1H3;1-5,12H,6-10H2;7,9H,1-6H2;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyLXROYGFPAJMRRM-UHFFFAOYSA-N
MW713.07 g/mol
LogP0.51
Rot. Bonds7

About 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol

1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol (PubChem CID 159486851) has the molecular formula C39H72N10O2 and a molecular weight of 713.07 g/mol. Its IUPAC name is 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol
PubChem CID159486851
Molecular FormulaC39H72N10O2
Molecular Weight713.07 g/mol
Exact Mass712.58
IUPAC Name1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol
SMILESCCN1CCNCC1.CN1CCNCC1.COc1ccccc1N1CCNCC1.OCCN1CCNCC1.c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H16N2O.C11H16N2.C6H14N2O.C6H14N2.C5H12N2/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;9-6-5-8-3-1-7-2-4-8;1-2-8-5-3-7-4-6-8;1-7-4-2-6-3-5-7/h2-5,12H,6-9H2,1H3;1-5,12H,6-10H2;7,9H,1-6H2;7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyLXROYGFPAJMRRM-UHFFFAOYSA-N
XLogP0.51
TPSA105.81 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500713.07
LogP ≤ 50.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol?
The IUPAC name of 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol (CID 159486851) is 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol.
What is the SMILES notation for 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol?
The canonical SMILES for 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol is CCN1CCNCC1.CN1CCNCC1.COc1ccccc1N1CCNCC1.OCCN1CCNCC1.c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol?
The InChIKey is LXROYGFPAJMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C11H16N2.C6H14N2O.C6H14N2.C5H12N2/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;9-6-5-8-3-1-7-2-4-8;1-2-8-5-3-7-4-6-8;1-7-4-2-6-3-5-7/h2-5,12H,6-9H2,1H3;1-5,12H,6-10H2;7,9H,1-6H2;7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol?
1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol has a molecular weight of 713.07 g/mol, XLogP of 0.51, 7 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperazine;1-ethylpiperazine;1-(2-methoxyphenyl)piperazine;1-methylpiperazine;2-piperazin-1-ylethanol is sourced from PubChem (CID 159486851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).