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

C12H25N3O — CID 107134608

IUPAC2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(C2CCCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-11(9-13)14-4-6-15(7-5-14)12-3-2-8-16-10-12/h11-12H,2-10,13H2,1H3
InChIKeyAYMIKAXVVCQKOV-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds3

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

2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine (PubChem CID 107134608) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine
PubChem CID107134608
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)N1CCN(C2CCCOC2)CC1
InChIInChI=1S/C12H25N3O/c1-11(9-13)14-4-6-15(7-5-14)12-3-2-8-16-10-12/h11-12H,2-10,13H2,1H3
InChIKeyAYMIKAXVVCQKOV-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

2-[4-(oxan-3-yl)piperazin-1-yl]pentan-1-amine
CID 107134609
2-[4-(5-oxaspiro[3.5]nonan-8-yl)piperazin-1-yl]propan-1-amine
CID 79897600
2-[4-(1-oxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propan-1-amine
CID 79901324
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
3-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 63558335
4-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 55072549
4-(4-cyclopropylpiperazin-1-yl)pentan-2-amine
CID 64706994
1-[4-(oxan-3-yl)morpholin-2-yl]ethanamine
CID 115314864
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine (CID 107134608) is 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine is CC(CN)N1CCN(C2CCCOC2)CC1.
What is the InChIKey of 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is AYMIKAXVVCQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(9-13)14-4-6-15(7-5-14)12-3-2-8-16-10-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine?
2-[4-(oxan-3-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 3 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]propan-1-amine is sourced from PubChem (CID 107134608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).