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

C28H32N2O3 — CID 155515301

IUPAC1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O3/c1-31-26-15-9-8-14-25(26)30-18-16-29(17-19-30)22-27-28(33-21-20-32-27,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,27H,16-22H2,1H3/t27-/m1/s1
InChIKeyUJRXZWAABVTTPQ-HHHXNRCGSA-N
MW444.57 g/mol
LogP4.18
Rot. Bonds6

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

1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 155515301) has the molecular formula C28H32N2O3 and a molecular weight of 444.57 g/mol. Its IUPAC name is 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID155515301
Molecular FormulaC28H32N2O3
Molecular Weight444.57 g/mol
Exact Mass444.24
IUPAC Name1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H32N2O3/c1-31-26-15-9-8-14-25(26)30-18-16-29(17-19-30)22-27-28(33-21-20-32-27,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,27H,16-22H2,1H3/t27-/m1/s1
InChIKeyUJRXZWAABVTTPQ-HHHXNRCGSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 155515301) is 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C[C@H]2OCCOC2(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is UJRXZWAABVTTPQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-31-26-15-9-8-14-25(26)30-18-16-29(17-19-30)22-27-28(33-21-20-32-27,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,27H,16-22H2,1H3/t27-/m1/s1.
What are the key properties of 1-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[(2R)-3,3-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-[[(2R)-3,3-diphenyl-1,4-dioxan-2-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 155515301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).