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

C22H28N2O3 — CID 155524736

IUPAC1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-25-20-10-6-5-9-19(20)24-13-11-23(12-14-24)17-21-22(27-16-15-26-21)18-7-3-2-4-8-18/h2-10,21-22H,11-17H2,1H3/t21-,22+/m1/s1
InChIKeyGWNABLDNNOYTMC-YADHBBJMSA-N
MW368.48 g/mol
LogP2.97
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine (PubChem CID 155524736) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
PubChem CID155524736
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-25-20-10-6-5-9-19(20)24-13-11-23(12-14-24)17-21-22(27-16-15-26-21)18-7-3-2-4-8-18/h2-10,21-22H,11-17H2,1H3/t21-,22+/m1/s1
InChIKeyGWNABLDNNOYTMC-YADHBBJMSA-N
XLogP2.97
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine (CID 155524736) is 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine is COc1ccccc1N1CCN(C[C@H]2OCCO[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
The InChIKey is GWNABLDNNOYTMC-YADHBBJMSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-25-20-10-6-5-9-19(20)24-13-11-23(12-14-24)17-21-22(27-16-15-26-21)18-7-3-2-4-8-18/h2-10,21-22H,11-17H2,1H3/t21-,22+/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine has a molecular weight of 368.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[[(2R,3S)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine is sourced from PubChem (CID 155524736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).