1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine

C23H32N2O2 — CID 68977576

IUPAC1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
SMILESCC1(C)C=C(c2ccccc2C2OC=C(N3CCNCC3)O2)CC(C)(C)C1
InChIInChI=1S/C23H32N2O2/c1-22(2)13-17(14-23(3,4)16-22)18-7-5-6-8-19(18)21-26-15-20(27-21)25-11-9-24-10-12-25/h5-8,13,15,21,24H,9-12,14,16H2,1-4H3
InChIKeyKZEKGGPJMCJMDC-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.67
Rot. Bonds3

About 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine

1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine (PubChem CID 68977576) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
PubChem CID68977576
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
SMILESCC1(C)C=C(c2ccccc2C2OC=C(N3CCNCC3)O2)CC(C)(C)C1
InChIInChI=1S/C23H32N2O2/c1-22(2)13-17(14-23(3,4)16-22)18-7-5-6-8-19(18)21-26-15-20(27-21)25-11-9-24-10-12-25/h5-8,13,15,21,24H,9-12,14,16H2,1-4H3
InChIKeyKZEKGGPJMCJMDC-UHFFFAOYSA-N
XLogP4.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine with MolForge

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Related Compounds

1-Butyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine;hydrochloride
CID 68974744
1-Butyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
CID 68974745
1-Propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine;hydrochloride
CID 68975816
1-Propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
CID 68975817
1-(Cyclopropylmethyl)-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine;hydrochloride
CID 68976412
1-(Cyclopropylmethyl)-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
CID 68976413
1-Propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,3-dioxol-4-yl]piperazine;hydrochloride
CID 68976849
1-Propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,3-dioxol-4-yl]piperazine
CID 68976850
1-(Cyclopropylmethyl)-4-[2-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,3-dioxol-4-yl]piperazine;hydrochloride
CID 68977784
1-(Cyclopropylmethyl)-4-[2-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,3-dioxol-4-yl]piperazine
CID 68977785
1-Butyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,3-dioxol-4-yl]piperazine;hydrochloride
CID 69293805
1-Butyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-1,3-dioxol-4-yl]piperazine
CID 69293806

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
The IUPAC name of 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine (CID 68977576) is 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine.
What is the SMILES notation for 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
The canonical SMILES for 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine is CC1(C)C=C(c2ccccc2C2OC=C(N3CCNCC3)O2)CC(C)(C)C1.
What is the InChIKey of 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
The InChIKey is KZEKGGPJMCJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-22(2)13-17(14-23(3,4)16-22)18-7-5-6-8-19(18)21-26-15-20(27-21)25-11-9-24-10-12-25/h5-8,13,15,21,24H,9-12,14,16H2,1-4H3.
What are the key properties of 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine has a molecular weight of 368.52 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine is sourced from PubChem (CID 68977576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).