(2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone

C19H22N2O2 — CID 71456921

IUPAC(2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
SMILESCN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-20-12-14-21(15-13-20)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-/m1/s1
InChIKeyHAQRQSQIJNAAOJ-GOSISDBHSA-N
MW310.40 g/mol
LogP2.58
Rot. Bonds4

About (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone

(2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone (PubChem CID 71456921) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
PubChem CID71456921
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
SMILESCN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c1-20-12-14-21(15-13-20)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-/m1/s1
InChIKeyHAQRQSQIJNAAOJ-GOSISDBHSA-N
XLogP2.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
The IUPAC name of (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone (CID 71456921) is (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
The canonical SMILES for (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone is CN1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
The InChIKey is HAQRQSQIJNAAOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20-12-14-21(15-13-20)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone?
(2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone has a molecular weight of 310.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone is sourced from PubChem (CID 71456921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).