2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H25N3O2 — CID 4877515

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H25N3O2/c1-14(17(22)20-8-4-5-9-20)18-10-12-19(13-11-18)15-6-2-3-7-16(15)21/h2-3,6-7,14,21H,4-5,8-13H2,1H3
InChIKeyOESIKSSQRRZAOQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 4877515) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID4877515
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C17H25N3O2/c1-14(17(22)20-8-4-5-9-20)18-10-12-19(13-11-18)15-6-2-3-7-16(15)21/h2-3,6-7,14,21H,4-5,8-13H2,1H3
InChIKeyOESIKSSQRRZAOQ-UHFFFAOYSA-N
XLogP1.53
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 4877515) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is OESIKSSQRRZAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(17(22)20-8-4-5-9-20)18-10-12-19(13-11-18)15-6-2-3-7-16(15)21/h2-3,6-7,14,21H,4-5,8-13H2,1H3.
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 303.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 4877515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).