(3R)-3-methyl-1-(oxan-4-yl)piperazine

C10H20N2O — CID 86767309

IUPAC(3R)-3-methyl-1-(oxan-4-yl)piperazine
SMILESC[C@@H]1CN(C2CCOCC2)CCN1
InChIInChI=1S/C10H20N2O/c1-9-8-12(5-4-11-9)10-2-6-13-7-3-10/h9-11H,2-8H2,1H3/t9-/m1/s1
InChIKeyWMSMHECRTQDPAK-SECBINFHSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds1

About (3R)-3-methyl-1-(oxan-4-yl)piperazine

(3R)-3-methyl-1-(oxan-4-yl)piperazine (PubChem CID 86767309) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R)-3-methyl-1-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(oxan-4-yl)piperazine
PubChem CID86767309
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3R)-3-methyl-1-(oxan-4-yl)piperazine
SMILESC[C@@H]1CN(C2CCOCC2)CCN1
InChIInChI=1S/C10H20N2O/c1-9-8-12(5-4-11-9)10-2-6-13-7-3-10/h9-11H,2-8H2,1H3/t9-/m1/s1
InChIKeyWMSMHECRTQDPAK-SECBINFHSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(oxan-4-yl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(oxan-4-yl)piperazine (CID 86767309) is (3R)-3-methyl-1-(oxan-4-yl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(oxan-4-yl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(oxan-4-yl)piperazine is C[C@@H]1CN(C2CCOCC2)CCN1.
What is the InChIKey of (3R)-3-methyl-1-(oxan-4-yl)piperazine?
The InChIKey is WMSMHECRTQDPAK-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9-8-12(5-4-11-9)10-2-6-13-7-3-10/h9-11H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(oxan-4-yl)piperazine?
(3R)-3-methyl-1-(oxan-4-yl)piperazine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(oxan-4-yl)piperazine is sourced from PubChem (CID 86767309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).