1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine

C21H32N2O2 — CID 171522133

IUPAC1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
SMILESCC.CN1CCN(c2ccccc2)CC1.COc1cccc(OC)c1
InChIInChI=1S/C11H16N2.C8H10O2.C2H6/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-9-7-4-3-5-8(6-7)10-2;1-2/h2-6H,7-10H2,1H3;3-6H,1-2H3;1-2H3
InChIKeyJCYVXRDGONQEGA-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.17
Rot. Bonds3

About 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine

1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine (PubChem CID 171522133) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine.

Molecular Properties

Compound Name1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
PubChem CID171522133
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine
SMILESCC.CN1CCN(c2ccccc2)CC1.COc1cccc(OC)c1
InChIInChI=1S/C11H16N2.C8H10O2.C2H6/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-9-7-4-3-5-8(6-7)10-2;1-2/h2-6H,7-10H2,1H3;3-6H,1-2H3;1-2H3
InChIKeyJCYVXRDGONQEGA-UHFFFAOYSA-N
XLogP4.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
1-(3-methoxyphenyl)azepane
CID 57276431
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
1-(3-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 48740743
3-methoxy-5-(4-phenylpiperazin-1-yl)aniline
CID 80726785
4,4-difluoro-1-(3-methoxyphenyl)piperidine
CID 117007784
1-(2-chloroethenyl)-4-(3-methoxyphenyl)piperazine
CID 174430054

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine?
The IUPAC name of 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine (CID 171522133) is 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine.
What is the SMILES notation for 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine?
The canonical SMILES for 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine is CC.CN1CCN(c2ccccc2)CC1.COc1cccc(OC)c1.
What is the InChIKey of 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine?
The InChIKey is JCYVXRDGONQEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C8H10O2.C2H6/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11;1-9-7-4-3-5-8(6-7)10-2;1-2/h2-6H,7-10H2,1H3;3-6H,1-2H3;1-2H3.
What are the key properties of 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine?
1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine has a molecular weight of 344.50 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxybenzene;ethane;1-methyl-4-phenylpiperazine is sourced from PubChem (CID 171522133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).