2-(3-piperazin-1-ylpropyl)aniline

C13H21N3 — CID 82161391

IUPAC2-(3-piperazin-1-ylpropyl)aniline
SMILESNc1ccccc1CCCN1CCNCC1
InChIInChI=1S/C13H21N3/c14-13-6-2-1-4-12(13)5-3-9-16-10-7-15-8-11-16/h1-2,4,6,15H,3,5,7-11,14H2
InChIKeyYUANJELGCGVBBH-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.11
Rot. Bonds4

About 2-(3-piperazin-1-ylpropyl)aniline

2-(3-piperazin-1-ylpropyl)aniline (PubChem CID 82161391) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3-piperazin-1-ylpropyl)aniline.

Molecular Properties

Compound Name2-(3-piperazin-1-ylpropyl)aniline
PubChem CID82161391
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(3-piperazin-1-ylpropyl)aniline
SMILESNc1ccccc1CCCN1CCNCC1
InChIInChI=1S/C13H21N3/c14-13-6-2-1-4-12(13)5-3-9-16-10-7-15-8-11-16/h1-2,4,6,15H,3,5,7-11,14H2
InChIKeyYUANJELGCGVBBH-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-piperidin-1-ylpropyl)aniline
CID 28721004
2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
2-[3-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 107274472
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]aniline
CID 28721045
4-[2-(3-piperazin-1-ylpropyl)phenyl]-1,3-thiazol-2-amine
CID 141070766
2-(4-piperazin-1-ylbutyl)benzoic acid
CID 83954010
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
2-[2-(azocan-1-yl)ethyl]aniline
CID 62495227
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
2-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]aniline;dihydrochloride
CID 22990952
2-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]aniline
CID 107274590
2-chloro-3-(3-piperazin-1-ylpropyl)quinoline
CID 170868283

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperazin-1-ylpropyl)aniline?
The IUPAC name of 2-(3-piperazin-1-ylpropyl)aniline (CID 82161391) is 2-(3-piperazin-1-ylpropyl)aniline.
What is the SMILES notation for 2-(3-piperazin-1-ylpropyl)aniline?
The canonical SMILES for 2-(3-piperazin-1-ylpropyl)aniline is Nc1ccccc1CCCN1CCNCC1.
What is the InChIKey of 2-(3-piperazin-1-ylpropyl)aniline?
The InChIKey is YUANJELGCGVBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-13-6-2-1-4-12(13)5-3-9-16-10-7-15-8-11-16/h1-2,4,6,15H,3,5,7-11,14H2.
What are the key properties of 2-(3-piperazin-1-ylpropyl)aniline?
2-(3-piperazin-1-ylpropyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperazin-1-ylpropyl)aniline is sourced from PubChem (CID 82161391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).