2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline

C15H22IN3 — CID 66079918

IUPAC2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline
SMILESNc1cc(I)ccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H22IN3/c16-12-5-6-15(14(17)11-12)19-9-7-18(8-10-19)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10,17H2
InChIKeyLTQTUAZLQHUUEB-UHFFFAOYSA-N
MW371.27 g/mol
LogP2.94
Rot. Bonds2

About 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline

2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline (PubChem CID 66079918) has the molecular formula C15H22IN3 and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline
PubChem CID66079918
Molecular FormulaC15H22IN3
Molecular Weight371.27 g/mol
Exact Mass371.09
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline
SMILESNc1cc(I)ccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H22IN3/c16-12-5-6-15(14(17)11-12)19-9-7-18(8-10-19)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10,17H2
InChIKeyLTQTUAZLQHUUEB-UHFFFAOYSA-N
XLogP2.94
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(4-cyclohexylpiperazin-1-yl)aniline
CID 117013658
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505066
4-bromo-2-(4-cyclopentylpiperazin-1-yl)-5-fluoroaniline
CID 116735846
5-iodo-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)aniline
CID 79175056
5-iodo-2-[4-(2-methylpropyl)piperazin-1-yl]aniline
CID 66080908
1-[2-chloro-4-(chloromethyl)phenyl]-4-cyclopentylpiperazine
CID 81152611
5-iodo-2-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 66064668
2-(2-chloro-4-iodophenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107603949
2-[5-chloro-2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 114860829
2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline
CID 66079728
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
1-(2-amino-4-iodophenyl)-N-methylpiperidine-3-carboxamide
CID 103194316

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline (CID 66079918) is 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline is Nc1cc(I)ccc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline?
The InChIKey is LTQTUAZLQHUUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3/c16-12-5-6-15(14(17)11-12)19-9-7-18(8-10-19)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10,17H2.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline?
2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline has a molecular weight of 371.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-5-iodoaniline is sourced from PubChem (CID 66079918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).