(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine

C15H23ClN2O — CID 95656879

IUPAC(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1CCCCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-13-12-17-8-10-18(13)9-4-5-11-19-15-7-3-2-6-14(15)16/h2-3,6-7,13,17H,4-5,8-12H2,1H3/t13-/m1/s1
InChIKeySWRGWYDKOUJRAS-CYBMUJFWSA-N
MW282.81 g/mol
LogP2.79
Rot. Bonds6

About (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine

(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine (PubChem CID 95656879) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
PubChem CID95656879
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
SMILESC[C@@H]1CNCCN1CCCCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O/c1-13-12-17-8-10-18(13)9-4-5-11-19-15-7-3-2-6-14(15)16/h2-3,6-7,13,17H,4-5,8-12H2,1H3/t13-/m1/s1
InChIKeySWRGWYDKOUJRAS-CYBMUJFWSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine?
The IUPAC name of (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine (CID 95656879) is (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine.
What is the SMILES notation for (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine?
The canonical SMILES for (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine is C[C@@H]1CNCCN1CCCCOc1ccccc1Cl.
What is the InChIKey of (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine?
The InChIKey is SWRGWYDKOUJRAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-13-12-17-8-10-18(13)9-4-5-11-19-15-7-3-2-6-14(15)16/h2-3,6-7,13,17H,4-5,8-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine?
(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine has a molecular weight of 282.81 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine is sourced from PubChem (CID 95656879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).