(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine

C14H22N2O — CID 70274970

IUPAC(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine
SMILESCCc1cc(N2CCN[C@H](C)C2)ccc1OC
InChIInChI=1S/C14H22N2O/c1-4-12-9-13(5-6-14(12)17-3)16-8-7-15-11(2)10-16/h5-6,9,11,15H,4,7-8,10H2,1-3H3/t11-/m1/s1
InChIKeyRYLUNTDDUZSFBV-LLVKDONJSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds3

About (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine

(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine (PubChem CID 70274970) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine
PubChem CID70274970
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine
SMILESCCc1cc(N2CCN[C@H](C)C2)ccc1OC
InChIInChI=1S/C14H22N2O/c1-4-12-9-13(5-6-14(12)17-3)16-8-7-15-11(2)10-16/h5-6,9,11,15H,4,7-8,10H2,1-3H3/t11-/m1/s1
InChIKeyRYLUNTDDUZSFBV-LLVKDONJSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine (CID 70274970) is (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine is CCc1cc(N2CCN[C@H](C)C2)ccc1OC.
What is the InChIKey of (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine?
The InChIKey is RYLUNTDDUZSFBV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-9-13(5-6-14(12)17-3)16-8-7-15-11(2)10-16/h5-6,9,11,15H,4,7-8,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine?
(3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-ethyl-4-methoxyphenyl)-3-methylpiperazine is sourced from PubChem (CID 70274970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).