(3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine

C10H20N2 — CID 167025725

IUPAC(3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine
SMILESC=C[C@@H]1CN(C(C)C)C[C@@H](C)N1
InChIInChI=1S/C10H20N2/c1-5-10-7-12(8(2)3)6-9(4)11-10/h5,8-11H,1,6-7H2,2-4H3/t9-,10-/m1/s1
InChIKeyGMQKNSIHHJGSCY-NXEZZACHSA-N
MW168.28 g/mol
LogP1.24
Rot. Bonds2

About (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine

(3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine (PubChem CID 167025725) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name(3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine
PubChem CID167025725
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine
SMILESC=C[C@@H]1CN(C(C)C)C[C@@H](C)N1
InChIInChI=1S/C10H20N2/c1-5-10-7-12(8(2)3)6-9(4)11-10/h5,8-11H,1,6-7H2,2-4H3/t9-,10-/m1/s1
InChIKeyGMQKNSIHHJGSCY-NXEZZACHSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine?
The IUPAC name of (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine (CID 167025725) is (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine.
What is the SMILES notation for (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine?
The canonical SMILES for (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine is C=C[C@@H]1CN(C(C)C)C[C@@H](C)N1.
What is the InChIKey of (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine?
The InChIKey is GMQKNSIHHJGSCY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-10-7-12(8(2)3)6-9(4)11-10/h5,8-11H,1,6-7H2,2-4H3/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine?
(3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine has a molecular weight of 168.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-ethenyl-5-methyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 167025725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).