1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride

C17H28Cl2N2O — CID 129318549

IUPAC1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride
SMILESCC(C)COCCCN1CCN(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C17H27ClN2O.ClH/c1-15(2)14-21-12-4-7-19-8-10-20(11-9-19)17-6-3-5-16(18)13-17;/h3,5-6,13,15H,4,7-12,14H2,1-2H3;1H
InChIKeyABGFTZSAMHEJSD-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.95
Rot. Bonds7

About 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride

1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride (PubChem CID 129318549) has the molecular formula C17H28Cl2N2O and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride
PubChem CID129318549
Molecular FormulaC17H28Cl2N2O
Molecular Weight347.33 g/mol
Exact Mass346.16
IUPAC Name1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride
SMILESCC(C)COCCCN1CCN(c2cccc(Cl)c2)CC1.Cl
InChIInChI=1S/C17H27ClN2O.ClH/c1-15(2)14-21-12-4-7-19-8-10-20(11-9-19)17-6-3-5-16(18)13-17;/h3,5-6,13,15H,4,7-12,14H2,1-2H3;1H
InChIKeyABGFTZSAMHEJSD-UHFFFAOYSA-N
XLogP3.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride (CID 129318549) is 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride is CC(C)COCCCN1CCN(c2cccc(Cl)c2)CC1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride?
The InChIKey is ABGFTZSAMHEJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O.ClH/c1-15(2)14-21-12-4-7-19-8-10-20(11-9-19)17-6-3-5-16(18)13-17;/h3,5-6,13,15H,4,7-12,14H2,1-2H3;1H.
What are the key properties of 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride?
1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride has a molecular weight of 347.33 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine;hydrochloride is sourced from PubChem (CID 129318549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).