[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone

C12H17N3O2 — CID 3268876

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CCO)CC1
InChIInChI=1S/C12H17N3O2/c16-9-8-14-4-6-15(7-5-14)12(17)11-2-1-3-13-10-11/h1-3,10,16H,4-9H2
InChIKeyCISRGHXMDXUPLM-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.17
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 3268876) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID3268876
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CCO)CC1
InChIInChI=1S/C12H17N3O2/c16-9-8-14-4-6-15(7-5-14)12(17)11-2-1-3-13-10-11/h1-3,10,16H,4-9H2
InChIKeyCISRGHXMDXUPLM-UHFFFAOYSA-N
XLogP-0.17
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 23802850
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
but-2-enedioic acid;3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 171150767
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(5-bromo-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43393801
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 3268876) is [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is CISRGHXMDXUPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-9-8-14-4-6-15(7-5-14)12(17)11-2-1-3-13-10-11/h1-3,10,16H,4-9H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 235.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 3268876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).