1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen

C13H23N3 — CID 156652390

IUPAC1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen
SMILESCCC(C)c1cccc(N2CCNCC2)n1.[H][H]
InChIInChI=1S/C13H21N3.H2/c1-3-11(2)12-5-4-6-13(15-12)16-9-7-14-8-10-16;/h4-6,11,14H,3,7-10H2,1-2H3;1H
InChIKeyDUKCKHLKBVAFOR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.25
Rot. Bonds3

About 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen

1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen (PubChem CID 156652390) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen.

Molecular Properties

Compound Name1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen
PubChem CID156652390
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen
SMILESCCC(C)c1cccc(N2CCNCC2)n1.[H][H]
InChIInChI=1S/C13H21N3.H2/c1-3-11(2)12-5-4-6-13(15-12)16-9-7-14-8-10-16;/h4-6,11,14H,3,7-10H2,1-2H3;1H
InChIKeyDUKCKHLKBVAFOR-UHFFFAOYSA-N
XLogP2.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen?
The IUPAC name of 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen (CID 156652390) is 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen.
What is the SMILES notation for 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen?
The canonical SMILES for 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen is CCC(C)c1cccc(N2CCNCC2)n1.[H][H].
What is the InChIKey of 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen?
The InChIKey is DUKCKHLKBVAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.H2/c1-3-11(2)12-5-4-6-13(15-12)16-9-7-14-8-10-16;/h4-6,11,14H,3,7-10H2,1-2H3;1H.
What are the key properties of 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen?
1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen has a molecular weight of 221.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butan-2-yl-2-pyridinyl)piperazine;molecular hydrogen is sourced from PubChem (CID 156652390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).