4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol

C11H22N2O2 — CID 84734865

IUPAC4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
SMILESCN1CCN(CC2(O)CCOCC2)CC1
InChIInChI=1S/C11H22N2O2/c1-12-4-6-13(7-5-12)10-11(14)2-8-15-9-3-11/h14H,2-10H2,1H3
InChIKeyNHBSPVOAVXHDAK-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.22
Rot. Bonds2

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

4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol (PubChem CID 84734865) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
PubChem CID84734865
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol
SMILESCN1CCN(CC2(O)CCOCC2)CC1
InChIInChI=1S/C11H22N2O2/c1-12-4-6-13(7-5-12)10-11(14)2-8-15-9-3-11/h14H,2-10H2,1H3
InChIKeyNHBSPVOAVXHDAK-UHFFFAOYSA-N
XLogP-0.22
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
4-[[(3S)-4-methyl-3-phenylpiperazin-1-yl]methyl]oxan-4-ol
CID 124966407
4-[[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354551
4-[[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]oxan-4-ol
CID 163354487
3-[(4-methylpiperazin-1-yl)methyl]oxolane-3-carbaldehyde
CID 62277704
ethane;1-methyl-4-[(4-methylpiperidin-1-yl)methyl]piperidin-4-ol
CID 177319493
3-(morpholin-4-ylmethyl)pyrrolidin-3-ol;dihydrochloride
CID 146675400
[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602
3-[[4,7-bis[(3-hydroxy-1,5-dioxocan-3-yl)methyl]-1,4,7-triazonan-1-yl]methyl]-1,5-dioxocan-3-ol
CID 18740667
ethyl 4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxylate
CID 106498365
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol (CID 84734865) is 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol is CN1CCN(CC2(O)CCOCC2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol?
The InChIKey is NHBSPVOAVXHDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-4-6-13(7-5-12)10-11(14)2-8-15-9-3-11/h14H,2-10H2,1H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol?
4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol has a molecular weight of 214.31 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]oxan-4-ol is sourced from PubChem (CID 84734865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).