(2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine

C14H22N2 — CID 90267961

IUPAC(2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine
SMILESCC[C@@H]1CN(c2ccc(C)cc2)CCN1C
InChIInChI=1S/C14H22N2/c1-4-13-11-16(10-9-15(13)3)14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3/t13-/m1/s1
InChIKeyJIAMDUHTPSFEPK-CYBMUJFWSA-N
MW218.34 g/mol
LogP2.53
Rot. Bonds2

About (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine

(2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine (PubChem CID 90267961) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name(2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine
PubChem CID90267961
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine
SMILESCC[C@@H]1CN(c2ccc(C)cc2)CCN1C
InChIInChI=1S/C14H22N2/c1-4-13-11-16(10-9-15(13)3)14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3/t13-/m1/s1
InChIKeyJIAMDUHTPSFEPK-CYBMUJFWSA-N
XLogP2.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine?
The IUPAC name of (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine (CID 90267961) is (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine.
What is the SMILES notation for (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine?
The canonical SMILES for (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine is CC[C@@H]1CN(c2ccc(C)cc2)CCN1C.
What is the InChIKey of (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine?
The InChIKey is JIAMDUHTPSFEPK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-13-11-16(10-9-15(13)3)14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine?
(2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-methyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 90267961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).