2-butylpiperazine;pyridine

C13H23N3 — CID 174839886

IUPAC2-butylpiperazine;pyridine
SMILESCCCCC1CNCCN1.c1ccncc1
InChIInChI=1S/C8H18N2.C5H5N/c1-2-3-4-8-7-9-5-6-10-8;1-2-4-6-5-3-1/h8-10H,2-7H2,1H3;1-5H
InChIKeyUGFDCFRFDPKFTM-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.82
Rot. Bonds3

About 2-butylpiperazine;pyridine

2-butylpiperazine;pyridine (PubChem CID 174839886) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-butylpiperazine;pyridine.

Molecular Properties

Compound Name2-butylpiperazine;pyridine
PubChem CID174839886
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-butylpiperazine;pyridine
SMILESCCCCC1CNCCN1.c1ccncc1
InChIInChI=1S/C8H18N2.C5H5N/c1-2-3-4-8-7-9-5-6-10-8;1-2-4-6-5-3-1/h8-10H,2-7H2,1H3;1-5H
InChIKeyUGFDCFRFDPKFTM-UHFFFAOYSA-N
XLogP1.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylpiperazine;pyridine?
The IUPAC name of 2-butylpiperazine;pyridine (CID 174839886) is 2-butylpiperazine;pyridine.
What is the SMILES notation for 2-butylpiperazine;pyridine?
The canonical SMILES for 2-butylpiperazine;pyridine is CCCCC1CNCCN1.c1ccncc1.
What is the InChIKey of 2-butylpiperazine;pyridine?
The InChIKey is UGFDCFRFDPKFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C5H5N/c1-2-3-4-8-7-9-5-6-10-8;1-2-4-6-5-3-1/h8-10H,2-7H2,1H3;1-5H.
What are the key properties of 2-butylpiperazine;pyridine?
2-butylpiperazine;pyridine has a molecular weight of 221.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpiperazine;pyridine is sourced from PubChem (CID 174839886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).