1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine

C17H26N2O — CID 95477520

IUPAC1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine
SMILESCc1cccc(C2(N3CCNCC3)CCOCC2)c1C
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(15(14)2)17(6-12-20-13-7-17)19-10-8-18-9-11-19/h3-5,18H,6-13H2,1-2H3
InChIKeyJPLOBZAFRHAVFE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.21
Rot. Bonds2

About 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine

1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine (PubChem CID 95477520) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine
PubChem CID95477520
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine
SMILESCc1cccc(C2(N3CCNCC3)CCOCC2)c1C
InChIInChI=1S/C17H26N2O/c1-14-4-3-5-16(15(14)2)17(6-12-20-13-7-17)19-10-8-18-9-11-19/h3-5,18H,6-13H2,1-2H3
InChIKeyJPLOBZAFRHAVFE-UHFFFAOYSA-N
XLogP2.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine
CID 95477521
1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine
CID 95475360
1-[4-(4-fluorophenyl)oxan-4-yl]piperazine
CID 82303771
1-[1-(3-methylphenyl)cyclohexyl]piperazine
CID 82300802
1-(1-phenylcyclopropyl)piperazine;dihydrochloride
CID 53407087
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088
4-(2,3-dimethylphenyl)-1,4-diazocan-5-one
CID 117015352
8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 11750018
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265
4-(2-methylphenyl)piperidin-4-amine
CID 70261882
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
1-[N-[(4-piperazin-1-yloxan-4-yl)methyl]anilino]propan-1-ol
CID 139471227

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine (CID 95477520) is 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine is Cc1cccc(C2(N3CCNCC3)CCOCC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine?
The InChIKey is JPLOBZAFRHAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-4-3-5-16(15(14)2)17(6-12-20-13-7-17)19-10-8-18-9-11-19/h3-5,18H,6-13H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine?
1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine is sourced from PubChem (CID 95477520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).