4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride

C13H18ClFN2O — CID 141054261

IUPAC4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
SMILESCl.O=CN1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O.ClH/c14-13-3-1-12(2-4-13)5-6-15-7-9-16(11-17)10-8-15;/h1-4,11H,5-10H2;1H
InChIKeyREWPTVVRXROWMQ-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.56
Rot. Bonds4

About 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride

4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride (PubChem CID 141054261) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
PubChem CID141054261
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride
SMILESCl.O=CN1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O.ClH/c14-13-3-1-12(2-4-13)5-6-15-7-9-16(11-17)10-8-15;/h1-4,11H,5-10H2;1H
InChIKeyREWPTVVRXROWMQ-UHFFFAOYSA-N
XLogP1.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride (CID 141054261) is 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride is Cl.O=CN1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride?
The InChIKey is REWPTVVRXROWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O.ClH/c14-13-3-1-12(2-4-13)5-6-15-7-9-16(11-17)10-8-15;/h1-4,11H,5-10H2;1H.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride?
4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride has a molecular weight of 272.75 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbaldehyde;hydrochloride is sourced from PubChem (CID 141054261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).