1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine

C17H26N2O2 — CID 117469431

IUPAC1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
SMILESCC1(C)OCC(c2cccc(CCN3CCNCC3)c2)O1
InChIInChI=1S/C17H26N2O2/c1-17(2)20-13-16(21-17)15-5-3-4-14(12-15)6-9-19-10-7-18-8-11-19/h3-5,12,16,18H,6-11,13H2,1-2H3
InChIKeyLIYQZKMNYOLBPD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine

1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine (PubChem CID 117469431) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
PubChem CID117469431
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
SMILESCC1(C)OCC(c2cccc(CCN3CCNCC3)c2)O1
InChIInChI=1S/C17H26N2O2/c1-17(2)20-13-16(21-17)15-5-3-4-14(12-15)6-9-19-10-7-18-8-11-19/h3-5,12,16,18H,6-11,13H2,1-2H3
InChIKeyLIYQZKMNYOLBPD-UHFFFAOYSA-N
XLogP1.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
CID 117109297
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
1-[[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]methyl]cyclopropan-1-amine
CID 117371294
1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]piperidine
CID 117408145
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
CID 117389280
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-amine
CID 117343489

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine (CID 117469431) is 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine is CC1(C)OCC(c2cccc(CCN3CCNCC3)c2)O1.
What is the InChIKey of 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
The InChIKey is LIYQZKMNYOLBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2)20-13-16(21-17)15-5-3-4-14(12-15)6-9-19-10-7-18-8-11-19/h3-5,12,16,18H,6-11,13H2,1-2H3.
What are the key properties of 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine?
1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117469431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).