1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

C28H32N2O3 — CID 155532148

IUPAC1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1
InChIInChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3
InChIKeyFBWZMWVPZRCOTO-UHFFFAOYSA-N
MW444.57 g/mol
LogP4.18
Rot. Bonds6

About 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 155532148) has the molecular formula C28H32N2O3 and a molecular weight of 444.57 g/mol. Its IUPAC name is 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID155532148
Molecular FormulaC28H32N2O3
Molecular Weight444.57 g/mol
Exact Mass444.24
IUPAC Name1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1
InChIInChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3
InChIKeyFBWZMWVPZRCOTO-UHFFFAOYSA-N
XLogP4.18
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
CID 155521817
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
1-(1,4-dithiaspiro[4.5]decan-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 134138438
5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(2-methoxyphenyl)-1,3-oxazolidin-2-one
CID 22157473
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571

Frequently Asked Questions

What is the IUPAC name of 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine (CID 155532148) is 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC2COCC(c3ccccc3)(c3ccccc3)O2)CC1.
What is the InChIKey of 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is FBWZMWVPZRCOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-31-27-15-9-8-14-26(27)30-18-16-29(17-19-30)20-25-21-32-22-28(33-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3.
What are the key properties of 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 444.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 155532148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).