2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine

C14H29N3O — CID 107134609

IUPAC2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(C2CCCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-4-13(11-15)16-6-8-17(9-7-16)14-5-3-10-18-12-14/h13-14H,2-12,15H2,1H3
InChIKeyISZBONBYYXZHAA-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine

2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine (PubChem CID 107134609) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine
PubChem CID107134609
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(C2CCCOC2)CC1
InChIInChI=1S/C14H29N3O/c1-2-4-13(11-15)16-6-8-17(9-7-16)14-5-3-10-18-12-14/h13-14H,2-12,15H2,1H3
InChIKeyISZBONBYYXZHAA-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine (CID 107134609) is 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine is CCCC(CN)N1CCN(C2CCCOC2)CC1.
What is the InChIKey of 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine?
The InChIKey is ISZBONBYYXZHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-2-4-13(11-15)16-6-8-17(9-7-16)14-5-3-10-18-12-14/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine?
2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 107134609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).