2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C16H24FN3O3 — CID 141142943

IUPAC2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN(CCO)CCO)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O3/c17-14-3-1-2-4-15(14)19-5-7-20(8-6-19)16(23)13-18(9-11-21)10-12-22/h1-4,21-22H,5-13H2
InChIKeyITTVNAMHMKYXHA-UHFFFAOYSA-N
MW325.38 g/mol
LogP-0.24
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 141142943) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID141142943
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN(CCO)CCO)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3O3/c17-14-3-1-2-4-15(14)19-5-7-20(8-6-19)16(23)13-18(9-11-21)10-12-22/h1-4,21-22H,5-13H2
InChIKeyITTVNAMHMKYXHA-UHFFFAOYSA-N
XLogP-0.24
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 141142943) is 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(CN(CCO)CCO)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ITTVNAMHMKYXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c17-14-3-1-2-4-15(14)19-5-7-20(8-6-19)16(23)13-18(9-11-21)10-12-22/h1-4,21-22H,5-13H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 325.38 g/mol, XLogP of -0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 141142943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).