4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline

C19H24ClN3 — CID 54215483

IUPAC4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline
SMILESCC(Cc1ccc(N)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3/c1-15(14-16-2-6-18(21)7-3-16)22-10-12-23(13-11-22)19-8-4-17(20)5-9-19/h2-9,15H,10-14,21H2,1H3
InChIKeyPYWUGVJBAVJLPH-UHFFFAOYSA-N
MW329.88 g/mol
LogP3.68
Rot. Bonds4

About 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline

4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline (PubChem CID 54215483) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline
PubChem CID54215483
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline
SMILESCC(Cc1ccc(N)cc1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H24ClN3/c1-15(14-16-2-6-18(21)7-3-16)22-10-12-23(13-11-22)19-8-4-17(20)5-9-19/h2-9,15H,10-14,21H2,1H3
InChIKeyPYWUGVJBAVJLPH-UHFFFAOYSA-N
XLogP3.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline (CID 54215483) is 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline is CC(Cc1ccc(N)cc1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline?
The InChIKey is PYWUGVJBAVJLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-15(14-16-2-6-18(21)7-3-16)22-10-12-23(13-11-22)19-8-4-17(20)5-9-19/h2-9,15H,10-14,21H2,1H3.
What are the key properties of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline?
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline has a molecular weight of 329.88 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]aniline is sourced from PubChem (CID 54215483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).