[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol

C11H22N2O2 — CID 112710381

IUPAC[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol
SMILESCN1CCN(C2CCCOC2)CC1CO
InChIInChI=1S/C11H22N2O2/c1-12-4-5-13(7-11(12)8-14)10-3-2-6-15-9-10/h10-11,14H,2-9H2,1H3
InChIKeyJRCQCEQKVHQYSH-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.23
Rot. Bonds2

About [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol

[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol (PubChem CID 112710381) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol
PubChem CID112710381
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol
SMILESCN1CCN(C2CCCOC2)CC1CO
InChIInChI=1S/C11H22N2O2/c1-12-4-5-13(7-11(12)8-14)10-3-2-6-15-9-10/h10-11,14H,2-9H2,1H3
InChIKeyJRCQCEQKVHQYSH-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol?
The IUPAC name of [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol (CID 112710381) is [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol.
What is the SMILES notation for [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol?
The canonical SMILES for [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol is CN1CCN(C2CCCOC2)CC1CO.
What is the InChIKey of [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol?
The InChIKey is JRCQCEQKVHQYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12-4-5-13(7-11(12)8-14)10-3-2-6-15-9-10/h10-11,14H,2-9H2,1H3.
What are the key properties of [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol?
[1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol has a molecular weight of 214.31 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(oxan-3-yl)piperazin-2-yl]methanol is sourced from PubChem (CID 112710381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).