1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride

C14H20Cl2N2 — CID 120771105

IUPAC1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
SMILESC=CCCN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2.ClH/c1-2-3-8-17-9-7-16-11-14(17)12-5-4-6-13(15)10-12;/h2,4-6,10,14,16H,1,3,7-9,11H2;1H
InChIKeyOJYVJBNPYQJBFL-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.28
Rot. Bonds4

About 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride

1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride (PubChem CID 120771105) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
PubChem CID120771105
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride
SMILESC=CCCN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2.ClH/c1-2-3-8-17-9-7-16-11-14(17)12-5-4-6-13(15)10-12;/h2,4-6,10,14,16H,1,3,7-9,11H2;1H
InChIKeyOJYVJBNPYQJBFL-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine;hydrochloride
CID 120770977
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanoate
CID 120846877
2-(3-chlorophenyl)-1-[2-(3-nitropyrazol-1-yl)ethyl]piperazine;hydrochloride
CID 120770850
2-(3-chlorophenyl)-1-[2-(1-phenyltetrazol-5-yl)ethyl]piperazine;hydrochloride
CID 120771011
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride (CID 120771105) is 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride is C=CCCN1CCNCC1c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride?
The InChIKey is OJYVJBNPYQJBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2.ClH/c1-2-3-8-17-9-7-16-11-14(17)12-5-4-6-13(15)10-12;/h2,4-6,10,14,16H,1,3,7-9,11H2;1H.
What are the key properties of 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride?
1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride has a molecular weight of 287.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-(3-chlorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 120771105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).