5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one

C11H21ClN2O2 — CID 43578875

IUPAC5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one
SMILESO=C(CCCCCl)N1CCN(CCO)CC1
InChIInChI=1S/C11H21ClN2O2/c12-4-2-1-3-11(16)14-7-5-13(6-8-14)9-10-15/h15H,1-10H2
InChIKeyLHRLDJVBQXIMBB-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.53
Rot. Bonds6

About 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one

5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one (PubChem CID 43578875) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one
PubChem CID43578875
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one
SMILESO=C(CCCCCl)N1CCN(CCO)CC1
InChIInChI=1S/C11H21ClN2O2/c12-4-2-1-3-11(16)14-7-5-13(6-8-14)9-10-15/h15H,1-10H2
InChIKeyLHRLDJVBQXIMBB-UHFFFAOYSA-N
XLogP0.53
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-hydroxyethyl)piperazin-1-yl]decan-1-one
CID 43417107
5-[4-(2-hydroxyethyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 2759311
6-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]hexan-1-one
CID 107218302
methyl 3-[4-(4-chlorobutanoyl)piperazin-1-yl]propanoate
CID 115534236
1-(4-acetyl-1,4-diazepan-1-yl)-5-chloropentan-1-one
CID 55004274
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 39161575
1-(4-tert-butylpiperazin-1-yl)-5-chloropentan-1-one
CID 61430483
3-chloro-1-[4-(2-fluoroethyl)piperazin-1-yl]propan-1-one
CID 121201944
2-[4-(5-chloropentanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 60948570
1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899775
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one (CID 43578875) is 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one is O=C(CCCCCl)N1CCN(CCO)CC1.
What is the InChIKey of 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is LHRLDJVBQXIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2O2/c12-4-2-1-3-11(16)14-7-5-13(6-8-14)9-10-15/h15H,1-10H2.
What are the key properties of 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 248.75 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 43578875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).