4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol

C13H20ClN3O — CID 123879386

IUPAC4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol
SMILESOCCCCc1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c14-12-9-11(3-1-2-8-18)10-16-13(12)17-6-4-15-5-7-17/h9-10,15,18H,1-8H2
InChIKeyKDJMRYPGBQSHFN-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.46
Rot. Bonds5

About 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol

4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol (PubChem CID 123879386) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol
PubChem CID123879386
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol
SMILESOCCCCc1cnc(N2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H20ClN3O/c14-12-9-11(3-1-2-8-18)10-16-13(12)17-6-4-15-5-7-17/h9-10,15,18H,1-8H2
InChIKeyKDJMRYPGBQSHFN-UHFFFAOYSA-N
XLogP1.46
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272505
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123796335
(4-chlorophenyl)methyl 5-chloro-6-piperazin-1-ylpyridine-3-carboxylate
CID 166485246
2-[4-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)ethynyl]phenyl]-N-methylethanamine;ethene
CID 166485598
[6-(4-tert-butylpiperidin-1-yl)-5-chloro-3-pyridinyl]methanol
CID 62091450
2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 102544856
[3-[2-(5-chloro-6-piperazin-1-yl-3-pyridinyl)prop-2-enyl]phenyl]methanamine;hydrochloride
CID 166485485
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 79183709
2-[4-[3-chloro-5-(chloromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 61255318
[5-chloro-6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 62286351
[5-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412388

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol?
The IUPAC name of 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol (CID 123879386) is 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol is OCCCCc1cnc(N2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol?
The InChIKey is KDJMRYPGBQSHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c14-12-9-11(3-1-2-8-18)10-16-13(12)17-6-4-15-5-7-17/h9-10,15,18H,1-8H2.
What are the key properties of 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol?
4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol has a molecular weight of 269.78 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-piperazin-1-yl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 123879386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).