1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride

C17H30ClN3 — CID 45264105

IUPAC1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride
SMILESCCCCCCCc1cccc(N2CCN(C)CC2)n1.Cl
InChIInChI=1S/C17H29N3.ClH/c1-3-4-5-6-7-9-16-10-8-11-17(18-16)20-14-12-19(2)13-15-20;/h8,10-11H,3-7,9,12-15H2,1-2H3;1H
InChIKeyKZZUBFFTKICHBD-UHFFFAOYSA-N
MW311.90 g/mol
LogP3.77
Rot. Bonds7

About 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride

1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride (PubChem CID 45264105) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride
PubChem CID45264105
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride
SMILESCCCCCCCc1cccc(N2CCN(C)CC2)n1.Cl
InChIInChI=1S/C17H29N3.ClH/c1-3-4-5-6-7-9-16-10-8-11-17(18-16)20-14-12-19(2)13-15-20;/h8,10-11H,3-7,9,12-15H2,1-2H3;1H
InChIKeyKZZUBFFTKICHBD-UHFFFAOYSA-N
XLogP3.77
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 53.77
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-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride (CID 45264105) is 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride is CCCCCCCc1cccc(N2CCN(C)CC2)n1.Cl.
What is the InChIKey of 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride?
The InChIKey is KZZUBFFTKICHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3.ClH/c1-3-4-5-6-7-9-16-10-8-11-17(18-16)20-14-12-19(2)13-15-20;/h8,10-11H,3-7,9,12-15H2,1-2H3;1H.
What are the key properties of 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride?
1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride has a molecular weight of 311.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-heptyl-2-pyridinyl)-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 45264105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).