(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine

C11H20N2 — CID 104975560

IUPAC(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine
SMILESC[C@@H]1CN(C2C=CCCC2)CCN1
InChIInChI=1S/C11H20N2/c1-10-9-13(8-7-12-10)11-5-3-2-4-6-11/h3,5,10-12H,2,4,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyXSMOUQAWJLQROP-NFJWQWPMSA-N
MW180.30 g/mol
LogP1.39
Rot. Bonds1

About (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine

(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine (PubChem CID 104975560) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine
PubChem CID104975560
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine
SMILESC[C@@H]1CN(C2C=CCCC2)CCN1
InChIInChI=1S/C11H20N2/c1-10-9-13(8-7-12-10)11-5-3-2-4-6-11/h3,5,10-12H,2,4,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyXSMOUQAWJLQROP-NFJWQWPMSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.39
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)-1-cyclohex-2-en-1-yl-3-methylpiperazine?
The IUPAC name of (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine (CID 104975560) is (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine?
The canonical SMILES for (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine is C[C@@H]1CN(C2C=CCCC2)CCN1.
What is the InChIKey of (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine?
The InChIKey is XSMOUQAWJLQROP-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-9-13(8-7-12-10)11-5-3-2-4-6-11/h3,5,10-12H,2,4,6-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine?
(3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine has a molecular weight of 180.30 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclohex-2-en-1-yl-3-methylpiperazine is sourced from PubChem (CID 104975560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).