(4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone

C22H24N2O3 — CID 2088777

IUPAC(4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
SMILESO=C(C1=COCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O3/c25-22(20-17-26-15-16-27-20)24-13-11-23(12-14-24)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,21H,11-16H2
InChIKeyJSHHLRRJWDMUNV-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.81
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone (PubChem CID 2088777) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
PubChem CID2088777
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
SMILESO=C(C1=COCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O3/c25-22(20-17-26-15-16-27-20)24-13-11-23(12-14-24)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,21H,11-16H2
InChIKeyJSHHLRRJWDMUNV-UHFFFAOYSA-N
XLogP2.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone (CID 2088777) is (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone is O=C(C1=COCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
The InChIKey is JSHHLRRJWDMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(20-17-26-15-16-27-20)24-13-11-23(12-14-24)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,21H,11-16H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone is sourced from PubChem (CID 2088777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).