3-[3-(4-propylpiperazin-1-yl)propyl]aniline

C16H27N3 — CID 115341726

IUPAC3-[3-(4-propylpiperazin-1-yl)propyl]aniline
SMILESCCCN1CCN(CCCc2cccc(N)c2)CC1
InChIInChI=1S/C16H27N3/c1-2-8-18-10-12-19(13-11-18)9-4-6-15-5-3-7-16(17)14-15/h3,5,7,14H,2,4,6,8-13,17H2,1H3
InChIKeyCJKUDZATNANQBR-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds6

About 3-[3-(4-propylpiperazin-1-yl)propyl]aniline

3-[3-(4-propylpiperazin-1-yl)propyl]aniline (PubChem CID 115341726) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-(4-propylpiperazin-1-yl)propyl]aniline.

Molecular Properties

Compound Name3-[3-(4-propylpiperazin-1-yl)propyl]aniline
PubChem CID115341726
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[3-(4-propylpiperazin-1-yl)propyl]aniline
SMILESCCCN1CCN(CCCc2cccc(N)c2)CC1
InChIInChI=1S/C16H27N3/c1-2-8-18-10-12-19(13-11-18)9-4-6-15-5-3-7-16(17)14-15/h3,5,7,14H,2,4,6,8-13,17H2,1H3
InChIKeyCJKUDZATNANQBR-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
3-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]aniline
CID 115342167
3-[4-(azepan-1-yl)butyl]aniline
CID 94266670
3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline
CID 115342123
3-pentylaniline
CID 19911390
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721177
3-docosylaniline
CID 139654071
3-[2-(4-tert-butylpiperazin-1-yl)ethyl]aniline
CID 65349893
3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 65349890
1-methyl-4-[3-[3-(1-propylpiperidin-4-yl)phenyl]propyl]piperazine
CID 91315329

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylpiperazin-1-yl)propyl]aniline?
The IUPAC name of 3-[3-(4-propylpiperazin-1-yl)propyl]aniline (CID 115341726) is 3-[3-(4-propylpiperazin-1-yl)propyl]aniline.
What is the SMILES notation for 3-[3-(4-propylpiperazin-1-yl)propyl]aniline?
The canonical SMILES for 3-[3-(4-propylpiperazin-1-yl)propyl]aniline is CCCN1CCN(CCCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[3-(4-propylpiperazin-1-yl)propyl]aniline?
The InChIKey is CJKUDZATNANQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-8-18-10-12-19(13-11-18)9-4-6-15-5-3-7-16(17)14-15/h3,5,7,14H,2,4,6,8-13,17H2,1H3.
What are the key properties of 3-[3-(4-propylpiperazin-1-yl)propyl]aniline?
3-[3-(4-propylpiperazin-1-yl)propyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylpiperazin-1-yl)propyl]aniline is sourced from PubChem (CID 115341726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).