(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride

C11H23ClN2O — CID 130678897

IUPAC(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
SMILESC[C@@H]1CNCCN1CC1CCCOC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-10-7-12-4-5-13(10)8-11-3-2-6-14-9-11;/h10-12H,2-9H2,1H3;1H/t10-,11?;/m1./s1
InChIKeyAXUVXIBPWDJMEL-QUUNXCOLSA-N
MW234.77 g/mol
LogP1.13
Rot. Bonds2

About (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride

(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride (PubChem CID 130678897) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
PubChem CID130678897
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride
SMILESC[C@@H]1CNCCN1CC1CCCOC1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-10-7-12-4-5-13(10)8-11-3-2-6-14-9-11;/h10-12H,2-9H2,1H3;1H/t10-,11?;/m1./s1
InChIKeyAXUVXIBPWDJMEL-QUUNXCOLSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-methyl-1-(oxan-3-yl)piperazine
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(3R)-4-(azetidin-3-ylmethyl)-3-methylmorpholine
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6-methyl-1-(oxolan-3-ylmethyl)-1,4-diazepane
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[5-[(2-methylpiperazin-1-yl)methyl]piperidin-3-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride (CID 130678897) is (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride is C[C@@H]1CNCCN1CC1CCCOC1.Cl.
What is the InChIKey of (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride?
The InChIKey is AXUVXIBPWDJMEL-QUUNXCOLSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-10-7-12-4-5-13(10)8-11-3-2-6-14-9-11;/h10-12H,2-9H2,1H3;1H/t10-,11?;/m1./s1.
What are the key properties of (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride?
(2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(oxan-3-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 130678897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).