[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone

C16H24N2O3 — CID 56802441

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(CC(C)O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-13(19)11-17-7-9-18(10-8-17)16(20)15-5-3-14(4-6-15)12-21-2/h3-6,13,19H,7-12H2,1-2H3
InChIKeyCRSIITYJKHHGGJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.97
Rot. Bonds5

About [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone

[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone (PubChem CID 56802441) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
PubChem CID56802441
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(C(=O)N2CCN(CC(C)O)CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-13(19)11-17-7-9-18(10-8-17)16(20)15-5-3-14(4-6-15)12-21-2/h3-6,13,19H,7-12H2,1-2H3
InChIKeyCRSIITYJKHHGGJ-UHFFFAOYSA-N
XLogP0.97
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone (CID 56802441) is [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone is COCc1ccc(C(=O)N2CCN(CC(C)O)CC2)cc1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
The InChIKey is CRSIITYJKHHGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(19)11-17-7-9-18(10-8-17)16(20)15-5-3-14(4-6-15)12-21-2/h3-6,13,19H,7-12H2,1-2H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone has a molecular weight of 292.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 56802441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).