4-piperazin-1-ylbutyl formate;hydrochloride

C9H19ClN2O2 — CID 174611710

IUPAC4-piperazin-1-ylbutyl formate;hydrochloride
SMILESCl.O=COCCCCN1CCNCC1
InChIInChI=1S/C9H18N2O2.ClH/c12-9-13-8-2-1-5-11-6-3-10-4-7-11;/h9-10H,1-8H2;1H
InChIKeyRBPWTRCVPWGQAN-UHFFFAOYSA-N
MW222.72 g/mol
LogP0.27
Rot. Bonds6

About 4-piperazin-1-ylbutyl formate;hydrochloride

4-piperazin-1-ylbutyl formate;hydrochloride (PubChem CID 174611710) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-piperazin-1-ylbutyl formate;hydrochloride.

Molecular Properties

Compound Name4-piperazin-1-ylbutyl formate;hydrochloride
PubChem CID174611710
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name4-piperazin-1-ylbutyl formate;hydrochloride
SMILESCl.O=COCCCCN1CCNCC1
InChIInChI=1S/C9H18N2O2.ClH/c12-9-13-8-2-1-5-11-6-3-10-4-7-11;/h9-10H,1-8H2;1H
InChIKeyRBPWTRCVPWGQAN-UHFFFAOYSA-N
XLogP0.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-piperazin-1-ylethoxymethyl)piperazine
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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutyl formate;hydrochloride?
The IUPAC name of 4-piperazin-1-ylbutyl formate;hydrochloride (CID 174611710) is 4-piperazin-1-ylbutyl formate;hydrochloride.
What is the SMILES notation for 4-piperazin-1-ylbutyl formate;hydrochloride?
The canonical SMILES for 4-piperazin-1-ylbutyl formate;hydrochloride is Cl.O=COCCCCN1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylbutyl formate;hydrochloride?
The InChIKey is RBPWTRCVPWGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c12-9-13-8-2-1-5-11-6-3-10-4-7-11;/h9-10H,1-8H2;1H.
What are the key properties of 4-piperazin-1-ylbutyl formate;hydrochloride?
4-piperazin-1-ylbutyl formate;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbutyl formate;hydrochloride is sourced from PubChem (CID 174611710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).