1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride

C12H18ClN3 — CID 120754736

IUPAC1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESC=CCN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C12H17N3.ClH/c1-2-7-15-8-6-14-10-12(15)11-4-3-5-13-9-11;/h2-5,9,12,14H,1,6-8,10H2;1H
InChIKeyHSWFWKXSOULSPU-UHFFFAOYSA-N
MW239.75 g/mol
LogP1.64
Rot. Bonds3

About 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride

1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120754736) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120754736
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
SMILESC=CCN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C12H17N3.ClH/c1-2-7-15-8-6-14-10-12(15)11-4-3-5-13-9-11;/h2-5,9,12,14H,1,6-8,10H2;1H
InChIKeyHSWFWKXSOULSPU-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.64
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

2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120846434
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride (CID 120754736) is 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride is C=CCN1CCNCC1c1cccnc1.Cl.
What is the InChIKey of 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is HSWFWKXSOULSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.ClH/c1-2-7-15-8-6-14-10-12(15)11-4-3-5-13-9-11;/h2-5,9,12,14H,1,6-8,10H2;1H.
What are the key properties of 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride?
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120754736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).