1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine

C14H21N3 — CID 134055422

IUPAC1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
SMILESC=C(C)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H21N3/c1-13(2)11-16-7-9-17(10-8-16)12-14-5-3-4-6-15-14/h3-6H,1,7-12H2,2H3
InChIKeyCRHAMBKGPHDWNY-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.78
Rot. Bonds4

About 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine

1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 134055422) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
PubChem CID134055422
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
SMILESC=C(C)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C14H21N3/c1-13(2)11-16-7-9-17(10-8-16)12-14-5-3-4-6-15-14/h3-6H,1,7-12H2,2H3
InChIKeyCRHAMBKGPHDWNY-UHFFFAOYSA-N
XLogP1.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134055432
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55462200
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
2-(2-methylprop-2-enyl)pyridine
CID 12534227
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine (CID 134055422) is 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine is C=C(C)CN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is CRHAMBKGPHDWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-13(2)11-16-7-9-17(10-8-16)12-14-5-3-4-6-15-14/h3-6H,1,7-12H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine?
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 231.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 134055422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).