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

C22H28N2O3 — CID 155521817

IUPAC1-(2-methoxyphenyl)-4-[[(2R,3R)-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-FGZHOGPDSA-N
MW368.48 g/mol
LogP2.97
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine (PubChem CID 155521817) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine
PubChem CID155521817
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(2-methoxyphenyl)-4-[[(2R,3R)-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-FGZHOGPDSA-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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Related Compounds

1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
1-[(6,6-diphenyl-1,4-dioxan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 155532148
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine (CID 155521817) is 1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[[(2R,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[[(2R,3R)-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,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
The InChIKey is GWNABLDNNOYTMC-FGZHOGPDSA-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,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine?
1-(2-methoxyphenyl)-4-[[(2R,3R)-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,3R)-3-phenyl-1,4-dioxan-2-yl]methyl]piperazine is sourced from PubChem (CID 155521817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).