2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine

C14H29N3O — CID 62387025

IUPAC2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)C2CCOCC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-5-16-6-8-17(9-7-16)14(12-15)13-3-10-18-11-4-13/h13-14H,2-12,15H2,1H3
InChIKeyTVIFIBTZQHIPNV-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.77
Rot. Bonds5

About 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine

2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine (PubChem CID 62387025) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine
PubChem CID62387025
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine
SMILESCCCN1CCN(C(CN)C2CCOCC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-5-16-6-8-17(9-7-16)14(12-15)13-3-10-18-11-4-13/h13-14H,2-12,15H2,1H3
InChIKeyTVIFIBTZQHIPNV-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine (CID 62387025) is 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine is CCCN1CCN(C(CN)C2CCOCC2)CC1.
What is the InChIKey of 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
The InChIKey is TVIFIBTZQHIPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-5-16-6-8-17(9-7-16)14(12-15)13-3-10-18-11-4-13/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine?
2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-(4-propylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 62387025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).