4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid

C16H33N3O2 — CID 135379535

IUPAC4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid
SMILESCCCCCCCCCNCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C16H33N3O2/c1-2-3-4-5-6-7-8-9-17-10-11-18-12-14-19(15-13-18)16(20)21/h17H,2-15H2,1H3,(H,20,21)
InChIKeyYMIXWECLEVCDKL-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.62
Rot. Bonds11

About 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid

4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid (PubChem CID 135379535) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid
PubChem CID135379535
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid
SMILESCCCCCCCCCNCCN1CCN(C(=O)O)CC1
InChIInChI=1S/C16H33N3O2/c1-2-3-4-5-6-7-8-9-17-10-11-18-12-14-19(15-13-18)16(20)21/h17H,2-15H2,1H3,(H,20,21)
InChIKeyYMIXWECLEVCDKL-UHFFFAOYSA-N
XLogP2.62
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-octylpiperazine-1-carboxylic acid
CID 22047855
tert-butyl 4-[2-(pentylamino)ethyl]piperazine-1-carboxylate
CID 103916751
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
tert-butyl 4-[2-(butylamino)ethyl]piperazine-1-carboxylate
CID 107243538
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
carbonic acid;N-hexylhexan-1-amine
CID 174995198
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine
CID 62889239
N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
CID 143882413
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619

Frequently Asked Questions

What is the IUPAC name of 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid (CID 135379535) is 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid is CCCCCCCCCNCCN1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid?
The InChIKey is YMIXWECLEVCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-2-3-4-5-6-7-8-9-17-10-11-18-12-14-19(15-13-18)16(20)21/h17H,2-15H2,1H3,(H,20,21).
What are the key properties of 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid?
4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid has a molecular weight of 299.46 g/mol, XLogP of 2.62, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(nonylamino)ethyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 135379535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).