4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde

C14H19ClN2O — CID 114843885

IUPAC4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde
SMILESCCCN1CCN(c2cc(Cl)ccc2C=O)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-5-16-6-8-17(9-7-16)14-10-13(15)4-3-12(14)11-18/h3-4,10-11H,2,5-9H2,1H3
InChIKeySNRASOZWHULJBM-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.68
Rot. Bonds4

About 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde

4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde (PubChem CID 114843885) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde
PubChem CID114843885
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde
SMILESCCCN1CCN(c2cc(Cl)ccc2C=O)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-5-16-6-8-17(9-7-16)14-10-13(15)4-3-12(14)11-18/h3-4,10-11H,2,5-9H2,1H3
InChIKeySNRASOZWHULJBM-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde?
The IUPAC name of 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde (CID 114843885) is 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde?
The canonical SMILES for 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde is CCCN1CCN(c2cc(Cl)ccc2C=O)CC1.
What is the InChIKey of 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde?
The InChIKey is SNRASOZWHULJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-5-16-6-8-17(9-7-16)14-10-13(15)4-3-12(14)11-18/h3-4,10-11H,2,5-9H2,1H3.
What are the key properties of 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde?
4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde has a molecular weight of 266.77 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde is sourced from PubChem (CID 114843885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).