3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol

C12H24N2O2 — CID 103061129

IUPAC3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
SMILESCCN1CCN(CC2COCCC2O)CC1
InChIInChI=1S/C12H24N2O2/c1-2-13-4-6-14(7-5-13)9-11-10-16-8-3-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyVUMWRADQGGHCKX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.02
Rot. Bonds3

About 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol

3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol (PubChem CID 103061129) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
PubChem CID103061129
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
SMILESCCN1CCN(CC2COCCC2O)CC1
InChIInChI=1S/C12H24N2O2/c1-2-13-4-6-14(7-5-13)9-11-10-16-8-3-12(11)15/h11-12,15H,2-10H2,1H3
InChIKeyVUMWRADQGGHCKX-UHFFFAOYSA-N
XLogP0.02
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
3-[(4-benzylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061162
3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
CID 103061771
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061657
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895
3-(2-hydroxy-2-methylbutyl)oxan-4-ol
CID 106471090

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol (CID 103061129) is 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol is CCN1CCN(CC2COCCC2O)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol?
The InChIKey is VUMWRADQGGHCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-13-4-6-14(7-5-13)9-11-10-16-8-3-12(11)15/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol?
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol has a molecular weight of 228.34 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol is sourced from PubChem (CID 103061129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).