1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one

C11H19N5O2 — CID 43417104

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCN(CCO)CC1
InChIInChI=1S/C11H19N5O2/c17-10-9-14-5-7-15(8-6-14)11(18)1-3-16-4-2-12-13-16/h2,4,17H,1,3,5-10H2
InChIKeyZWOJDRPQCJQWSP-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.20
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one (PubChem CID 43417104) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
PubChem CID43417104
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
SMILESO=C(CCn1ccnn1)N1CCN(CCO)CC1
InChIInChI=1S/C11H19N5O2/c17-10-9-14-5-7-15(8-6-14)11(18)1-3-16-4-2-12-13-16/h2,4,17H,1,3,5-10H2
InChIKeyZWOJDRPQCJQWSP-UHFFFAOYSA-N
XLogP-1.20
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one (CID 43417104) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one is O=C(CCn1ccnn1)N1CCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
The InChIKey is ZWOJDRPQCJQWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c17-10-9-14-5-7-15(8-6-14)11(18)1-3-16-4-2-12-13-16/h2,4,17H,1,3,5-10H2.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one has a molecular weight of 253.31 g/mol, XLogP of -1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 43417104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).