3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine

C12H25N3O — CID 16768404

IUPAC3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H25N3O/c13-4-2-5-14-6-8-15(9-7-14)11-12-3-1-10-16-12/h12H,1-11,13H2
InChIKeyGWKFOLDEHXOVCD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds5

About 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine

3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine (PubChem CID 16768404) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine
PubChem CID16768404
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H25N3O/c13-4-2-5-14-6-8-15(9-7-14)11-12-3-1-10-16-12/h12H,1-11,13H2
InChIKeyGWKFOLDEHXOVCD-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
CID 43253069
4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
CID 43591824
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 81494206

Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine (CID 16768404) is 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(CC2CCCO2)CC1.
What is the InChIKey of 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is GWKFOLDEHXOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c13-4-2-5-14-6-8-15(9-7-14)11-12-3-1-10-16-12/h12H,1-11,13H2.
What are the key properties of 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine?
3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 16768404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).