1-(5-butoxy-3-pyridinyl)piperazine

C13H21N3O — CID 22478494

IUPAC1-(5-butoxy-3-pyridinyl)piperazine
SMILESCCCCOc1cncc(N2CCNCC2)c1
InChIInChI=1S/C13H21N3O/c1-2-3-8-17-13-9-12(10-15-11-13)16-6-4-14-5-7-16/h9-11,14H,2-8H2,1H3
InChIKeyNAWZJYYROXFASI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.67
Rot. Bonds5

About 1-(5-butoxy-3-pyridinyl)piperazine

1-(5-butoxy-3-pyridinyl)piperazine (PubChem CID 22478494) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-butoxy-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(5-butoxy-3-pyridinyl)piperazine
PubChem CID22478494
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(5-butoxy-3-pyridinyl)piperazine
SMILESCCCCOc1cncc(N2CCNCC2)c1
InChIInChI=1S/C13H21N3O/c1-2-3-8-17-13-9-12(10-15-11-13)16-6-4-14-5-7-16/h9-11,14H,2-8H2,1H3
InChIKeyNAWZJYYROXFASI-UHFFFAOYSA-N
XLogP1.67
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-butoxy-3-pyridinyl)-1,5-diazocane
CID 11494630
1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine
CID 103036447
1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]-1,4-diazepane
CID 103036448
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine
CID 115982424
N,N-dimethyl-2-[(5-pyrrolidin-1-yl-3-pyridinyl)oxy]ethanamine
CID 122182214
N-butyl-5-(1,4-diazepan-1-yl)-N-methylpyridin-3-amine
CID 22053459
1-(4-butoxy-2-methylphenyl)-1,4-diazepane
CID 83134110
1-(3-butoxy-4-tert-butylphenyl)piperazine
CID 89492946
1-(4-hexoxy-3-methylphenyl)piperazine
CID 63214255
(3-piperazin-1-ylphenyl) N-(4-butoxyphenyl)carbamate
CID 71541070
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864

Frequently Asked Questions

What is the IUPAC name of 1-(5-butoxy-3-pyridinyl)piperazine?
The IUPAC name of 1-(5-butoxy-3-pyridinyl)piperazine (CID 22478494) is 1-(5-butoxy-3-pyridinyl)piperazine.
What is the SMILES notation for 1-(5-butoxy-3-pyridinyl)piperazine?
The canonical SMILES for 1-(5-butoxy-3-pyridinyl)piperazine is CCCCOc1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-(5-butoxy-3-pyridinyl)piperazine?
The InChIKey is NAWZJYYROXFASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-3-8-17-13-9-12(10-15-11-13)16-6-4-14-5-7-16/h9-11,14H,2-8H2,1H3.
What are the key properties of 1-(5-butoxy-3-pyridinyl)piperazine?
1-(5-butoxy-3-pyridinyl)piperazine has a molecular weight of 235.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butoxy-3-pyridinyl)piperazine is sourced from PubChem (CID 22478494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).