[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine

C12H25N3O — CID 63335770

IUPAC[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
SMILESCCCN1CCN(C2(CN)CCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-2-4-14-5-7-15(8-6-14)12(10-13)3-9-16-11-12/h2-11,13H2,1H3
InChIKeySFNVQXRQHUZRNP-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds4

About [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine

[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine (PubChem CID 63335770) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
PubChem CID63335770
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
SMILESCCCN1CCN(C2(CN)CCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-2-4-14-5-7-15(8-6-14)12(10-13)3-9-16-11-12/h2-11,13H2,1H3
InChIKeySFNVQXRQHUZRNP-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine (CID 63335770) is [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine is CCCN1CCN(C2(CN)CCOC2)CC1.
What is the InChIKey of [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine?
The InChIKey is SFNVQXRQHUZRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-4-14-5-7-15(8-6-14)12(10-13)3-9-16-11-12/h2-11,13H2,1H3.
What are the key properties of [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine?
[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 63335770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).