1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

C27H30N2O3 — CID 52949448

IUPAC1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1
InChIInChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
InChIKeyXRKSDOUDYWUZPR-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.13
Rot. Bonds6

About 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 52949448) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID52949448
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1
InChIInChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3
InChIKeyXRKSDOUDYWUZPR-UHFFFAOYSA-N
XLogP4.13
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxy-phenyl)-4-[3-(1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10067369
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
CID 53329787
1-[2-(4-Fluoro-benzyloxy)-ethyl]-4-(2-methoxy-phenyl)-piperazine
CID 23276578
1-[3-(3,4-Dihydro-naphthalen-1-yl)-propyl]-4-(2-methoxy-phenyl)-piperazine
CID 10316605
1-[(2,6-Dimethylphenoxy)ethoxyethyl]-4-(2-methoxyphenyl)piperazine hydrochloride
CID 91937908
1-[[(2S,4S)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-dioxolan-2-yl]methyl]piperidin-2-one
CID 46934639
1-[[(2S,4S)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-dioxolan-2-yl]methyl]azepan-2-one
CID 46934643
1-[(5,5-Diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
CID 56946572
1-[(2,2-Diphenyl-1,3-dioxolan-4-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid
CID 57393526

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine (CID 52949448) is 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC2OCC(c3ccccc3)(c3ccccc3)O2)CC1.
What is the InChIKey of 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is XRKSDOUDYWUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-30-25-15-9-8-14-24(25)29-18-16-28(17-19-29)20-26-31-21-27(32-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,26H,16-21H2,1H3.
What are the key properties of 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 430.55 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-diphenyl-1,3-dioxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 52949448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).