1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine

C13H19N3 — CID 131534531

IUPAC1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1cccc(C)n1)N1CCNCC1
InChIInChI=1S/C13H19N3/c1-3-13(16-9-7-14-8-10-16)12-6-4-5-11(2)15-12/h3-6,13-14H,1,7-10H2,2H3/t13-/m1/s1
InChIKeyOPYMDIJQQFYFBS-CYBMUJFWSA-N
MW217.32 g/mol
LogP1.52
Rot. Bonds3

About 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine

1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine (PubChem CID 131534531) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine
PubChem CID131534531
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine
SMILESC=C[C@H](c1cccc(C)n1)N1CCNCC1
InChIInChI=1S/C13H19N3/c1-3-13(16-9-7-14-8-10-16)12-6-4-5-11(2)15-12/h3-6,13-14H,1,7-10H2,2H3/t13-/m1/s1
InChIKeyOPYMDIJQQFYFBS-CYBMUJFWSA-N
XLogP1.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
CID 171280796
1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
CID 171305510
1-[(1R)-1-(2,3-dimethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288426
1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
CID 5023904
1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
CID 171280802
1-[(1R)-1-(5-bromo-2-pyridinyl)prop-2-enyl]piperazine
CID 131444524
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
CID 171294037
1-[(1S)-1-(5-methylthiophen-2-yl)prop-2-enyl]piperazine
CID 131340109
1-[(1R)-1-(5-methylfuran-2-yl)prop-2-enyl]piperazine;dihydrochloride
CID 171294318
1-[(1S)-1-(2,3,4,5,6-pentamethylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171282351
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine (CID 131534531) is 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine is C=C[C@H](c1cccc(C)n1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine?
The InChIKey is OPYMDIJQQFYFBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-13(16-9-7-14-8-10-16)12-6-4-5-11(2)15-12/h3-6,13-14H,1,7-10H2,2H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine?
1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine has a molecular weight of 217.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine is sourced from PubChem (CID 131534531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).