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

C26H38N2O2 — CID 68975817

IUPAC1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
SMILESCCCN1CCN(C2=COC(c3ccccc3C3=CC(C)(C)CC(C)(C)C3)O2)CC1
InChIInChI=1S/C26H38N2O2/c1-6-11-27-12-14-28(15-13-27)23-18-29-24(30-23)22-10-8-7-9-21(22)20-16-25(2,3)19-26(4,5)17-20/h7-10,16,18,24H,6,11-15,17,19H2,1-5H3
InChIKeyYDYHYQFFORGNBK-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.79
Rot. Bonds5

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

1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine (PubChem CID 68975817) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine.

Molecular Properties

Compound Name1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
PubChem CID68975817
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
SMILESCCCN1CCN(C2=COC(c3ccccc3C3=CC(C)(C)CC(C)(C)C3)O2)CC1
InChIInChI=1S/C26H38N2O2/c1-6-11-27-12-14-28(15-13-27)23-18-29-24(30-23)22-10-8-7-9-21(22)20-16-25(2,3)19-26(4,5)17-20/h7-10,16,18,24H,6,11-15,17,19H2,1-5H3
InChIKeyYDYHYQFFORGNBK-UHFFFAOYSA-N
XLogP5.79
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-propyl-4-[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-(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-[2-[2-(3,3,5,5-Tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine
CID 68977576
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-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
The IUPAC name of 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine (CID 68975817) is 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine.
What is the SMILES notation for 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
The canonical SMILES for 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine is CCCN1CCN(C2=COC(c3ccccc3C3=CC(C)(C)CC(C)(C)C3)O2)CC1.
What is the InChIKey of 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
The InChIKey is YDYHYQFFORGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-6-11-27-12-14-28(15-13-27)23-18-29-24(30-23)22-10-8-7-9-21(22)20-16-25(2,3)19-26(4,5)17-20/h7-10,16,18,24H,6,11-15,17,19H2,1-5H3.
What are the key properties of 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine?
1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine has a molecular weight of 410.60 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1,3-dioxol-4-yl]piperazine is sourced from PubChem (CID 68975817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).