2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine

C12H25N3O — CID 62385284

IUPAC2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H25N3O/c13-3-4-14-5-7-15(8-6-14)11-12-1-9-16-10-2-12/h12H,1-11,13H2
InChIKeyNBFMDKFGMJCDSC-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.01
Rot. Bonds4

About 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine

2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine (PubChem CID 62385284) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
PubChem CID62385284
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CC2CCOCC2)CC1
InChIInChI=1S/C12H25N3O/c13-3-4-14-5-7-15(8-6-14)11-12-1-9-16-10-2-12/h12H,1-11,13H2
InChIKeyNBFMDKFGMJCDSC-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxan-4-ylmethyl)morpholine
CID 122244931
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 53256412
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]piperidin-1-yl]ethanamine
CID 115214528
N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70289364
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
1-(2-aminoethyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 115161822
4-tert-butyl-1-(oxan-4-ylmethyl)piperidine
CID 59743823
2-[4-(oxolan-3-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 63312870
4-(cyclohexylmethyl)morpholine
CID 641545
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120800570
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine (CID 62385284) is 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine is NCCN1CCN(CC2CCOCC2)CC1.
What is the InChIKey of 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine?
The InChIKey is NBFMDKFGMJCDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c13-3-4-14-5-7-15(8-6-14)11-12-1-9-16-10-2-12/h12H,1-11,13H2.
What are the key properties of 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine?
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine has a molecular weight of 227.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 62385284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).