2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine

C14H29N3O — CID 112739137

IUPAC2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine
SMILESNCCOCCCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H29N3O/c15-6-13-18-12-3-7-16-8-10-17(11-9-16)14-4-1-2-5-14/h14H,1-13,15H2
InChIKeySKQTYXCRNHYSQI-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds7

About 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine

2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine (PubChem CID 112739137) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine
PubChem CID112739137
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine
SMILESNCCOCCCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H29N3O/c15-6-13-18-12-3-7-16-8-10-17(11-9-16)14-4-1-2-5-14/h14H,1-13,15H2
InChIKeySKQTYXCRNHYSQI-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
1-(2-chloroethyl)-4-cyclopentylpiperazine
CID 4741622
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-cyclohexyl-4-(3-isocyanopropyl)piperazine
CID 3613896
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
CID 170951585
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
CID 156883236
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
2-(4-methoxybutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115277631
2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
CID 79478625
1-amino-4-(4-cyclopentylpiperazin-1-yl)butan-2-ol
CID 64821605
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
CID 103409181

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine?
The IUPAC name of 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine (CID 112739137) is 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine.
What is the SMILES notation for 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine?
The canonical SMILES for 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine is NCCOCCCN1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine?
The InChIKey is SKQTYXCRNHYSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c15-6-13-18-12-3-7-16-8-10-17(11-9-16)14-4-1-2-5-14/h14H,1-13,15H2.
What are the key properties of 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine?
2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopentylpiperazin-1-yl)propoxy]ethanamine is sourced from PubChem (CID 112739137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).